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  • 16696-68-7 Structure
  • Basic information

    1. Product Name: 1-phenylethanethione
    2. Synonyms: Ethanethione, 1-phenyl-
    3. CAS NO:16696-68-7
    4. Molecular Formula: C8H8S
    5. Molecular Weight: 136.2141
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 16696-68-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 201.7°C at 760 mmHg
    3. Flash Point: 75.8°C
    4. Appearance: N/A
    5. Density: 1.057g/cm3
    6. Vapor Pressure: 0.431mmHg at 25°C
    7. Refractive Index: 1.591
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-phenylethanethione(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-phenylethanethione(16696-68-7)
    12. EPA Substance Registry System: 1-phenylethanethione(16696-68-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 16696-68-7(Hazardous Substances Data)

16696-68-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 16696-68-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,6,9 and 6 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 16696-68:
(7*1)+(6*6)+(5*6)+(4*9)+(3*6)+(2*6)+(1*8)=147
147 % 10 = 7
So 16696-68-7 is a valid CAS Registry Number.

16696-68-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-phenylethanethione

1.2 Other means of identification

Product number -
Other names 1-phenyl-ethanethione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16696-68-7 SDS

16696-68-7Relevant articles and documents

Reactions of 1,3-Epithionaphtho5,6λ5>thiadiphosphinine-1,3-dithione; the Preparation and X-ray Structure of NpP(S)(SMe)SP(S)(OMe), the first C3P2S Ring

Eleftheriou, Maria-Elena,Novosad, Josef,Williams, David J.,Woollins, J. Derek

, p. 116 - 117 (1991)

NpP2S4 1 (Np = C10H6, naphthalene-1,8-diyl) reacts with carbonyl groups to give thiocarbonyls whilst refluxing 1 in methanol results in cleavage of one of the P-S-P bridges and formation of the new heterocycle 3 which contains a C3P2S ring with the phosph

Kinetic Resolution of sec-Thiols by Enantioselective Oxidation with Rationally Engineered 5-(Hydroxymethyl)furfural Oxidase

Pickl, Mathias,Swoboda, Alexander,Romero, Elvira,Winkler, Christoph K.,Binda, Claudia,Mattevi, Andrea,Faber, Kurt,Fraaije, Marco W.

, p. 2864 - 2868 (2018/03/08)

Various flavoprotein oxidases were recently shown to oxidize primary thiols. Herein, this reactivity is extended to sec-thiols by using structure-guided engineering of 5-(hydroxymethyl)furfural oxidase (HMFO). The variants obtained were employed for the oxidative kinetic resolution of racemic sec-thiols, thus yielding the corresponding thioketones and nonreacted R-configured thiols with excellent enantioselectivities (E≥200). The engineering strategy applied went beyond the classic approach of replacing bulky amino acid residues with smaller ones, as the active site was additionally enlarged by a newly introduced Thr residue. This residue established a hydrogen-bonding interaction with the substrates, as verified in the crystal structure of the variant. These strategies unlocked HMFO variants for the enantioselective oxidation of a range of sec-thiols.

Stereospecific Reactions of Donor–Acceptor Cyclopropanes with Thioketones: Access to Highly Substituted Tetrahydrothiophenes

Augustin, André U.,Sensse, Maximilian,Jones, Peter G.,Werz, Daniel B.

supporting information, p. 14293 - 14296 (2017/10/31)

Lewis-acid-catalyzed reactions of 2-substituted cyclopropane 1,1-dicarboxylates with thioketones are described. Highly substituted tetrahydrothiophenes with two adjacent quaternary carbon atoms were obtained in a stereospecific manner under mild conditions and in high yield when using AlCl3 as Lewis acid. Moreover, an intramolecular approach was successfully implemented to gain access to sulfur-bridged [n.2.1] bicyclic ring systems. Conversion of selenoketones, the heavier analogues, under similar conditions resulted in the formation of various tetrahydroselenophenes.

Investigations of the Thermal Responsiveness of 1,4,2-Oxathiazoles

Hewitt, Russell J.,Ong, Michelle Jui Hsien,Lim, Yi Wee,Burkett, Brendan A.

supporting information, p. 6687 - 6700 (2015/10/29)

The first systematic study of the thermal rearrangement/fragmentation of 5,5-disubstituted 1,4,2-oxathiazoles into isothiocyanates is reported. Structure-activity relationships reveal that the choice of substituent at the 5-position of the 1,4,2-oxathiazoles is the predominant factor to influence the ease of fragmentation.

Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto

-

, (2008/06/13)

Compounds having activity as inhibitors of the JNK pathway are disclosed. The compounds of this invention are anilinopyrimidine derivatives having the following structure: wherein R1 through R6 are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to inhibition of the JNK pathway. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto

-

, (2008/06/13)

Compounds having activity as inhibitors of IKK are disclosed, particularly IKK-2. The compounds of this invention are anilinopyrimidine derivatives having the following structure: wherein R1 and R6 are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to IKK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

Dithiazoles and Related Compounds. Part 3. Preparation of 5H-1,4,2-Dithiazoles via 1,3-Dipolar Cycloadditions between Nitrile Sulphides and Thiocarbonyl Compounds, and some Conversions into 3,5-Diaryl-1,4,2-dithiazolium Salts

Wai, Kwok-Fai,Sammes, Michael P.

, p. 183 - 187 (2007/10/02)

Thermolysis of 1,3,4-oxathiazol-2-ones 3 in the presence of thiocarbonyl compounds gives modest to good yields of the little-known 5H-1,4,2-dithiazoles 1, the reaction being successful with diaryl, aryl alkyl and dialkyl ketones, and thiono esters, but failing with dithio esters and tertiary thioamides.The influence of substituents is discussed.Solvolysis of 5-ethoxy-5H-1,4,2-dithiazoles, derived from thiono esters, with perchloric acid in acetic anhydride gives high yields of 3,5-diaryl-1,4,2-dithiazolium salts 9.

Silicon-Assisted Synthesis of Thiocarbonyl Derivatives and Reactivity of Dienophilic Thioaldehydes

Capperucci, Antonella,Degl'Innocenti, Alessandro,Ricci, Alfredo,Mordini, Alessandro,Reginato, Gianna

, p. 7323 - 7328 (2007/10/02)

Treatment of bis(trimethylsilyl) sulfide with CoCl2 * 6 H2O in the presence of aldehydes affords the corresponding thiocarbonyl analogues which can be trapped to avoid polymerization.The sulfurization reaction also takes place in the presence of TfOSiMe3, in which case, besides thioaldehydes, thioketones may be obtained in satisfactory yields.When thioaldehydes are generated with the CoCl2 * 6 H2O method the Diels-Alder reaction with cyclohexadiene occurs with very high selectivity in favor of the endo isomer, whereas when the TfOSiMe3-based method is employed, the stereochemistry of the cycloadduct can be conveniently selected toward endo or exo by varying the molar ratio of the sulfurating agent.

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