1,3-Dithiole-2-thione

Base Information

• Chemical Name: 1,3-Dithiole-2-thione
• CAS No.: 930-35-8
• Molecular Formula: C3H2S3
• Molecular Weight: 134.247
• Hs Code.: 29309090
• European Community (EC) Number: 213-215-1
• UNII: 0K9M0CR06O
• DSSTox Substance ID: DTXSID80239230
• Nikkaji Number: J12.484B
• Wikidata: Q72516372
• NCI Thesaurus Code: C63697
• Mol file: 930-35-8.mol

Synonyms:1,3-Dithiole-2-thione;930-35-8;Vinylene trithiocarbonate;1,3-Dithiol-2-thione;EINECS 213-215-1;0K9M0CR06O;ISOTRITHIONE;1,3-dithiol-2-thion;UNII-0K9M0CR06O;2H-1,3-dithiole-2-thione;SCHEMBL907732;YSZC2183;Vinylene trithiocarbonate, 98%;DTXSID80239230;1,3-Dithiacyclopentane, 2-thione-;MFCD00014536;AKOS015856655;BS-18939;LS-63336;CS-0199263;D2133;FT-0745919;1,2-ETHENEDITHIOL, CYCLIC TRITHIOCARBONATE;CARBONIC ACID, TRITHIO-, CYCLIC VINYLENE ESTER;Vinylene trithiocarbonate, purum, >=99.0% (GC), yellow

Chemical Property of 1,3-Dithiole-2-thione

Chemical Property:

• Vapor Pressure: 0.0763mmHg at 25°C
• Melting Point: 48-50 °C(lit.)
• Refractive Index: 1.806
• Boiling Point: 235.5 °C at 760 mmHg
• Flash Point: 96.2 °C
• PSA: 88.57000
• Density: 1.56 g/cm³
• LogP: 2.53910
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.93186358
• Heavy Atom Count: 6
• Complexity: 84.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Vinylene trithiocarbonate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CSC(=S)S1
• Uses: Vinylene trithiocarbonate may be used in the synthesis of series of symmetrical 1,3-dithiole-2-thiones and -ones. It is suitable for use as substrate to investigate the omega class glutathione S-transferase enzymatic activity.

Technology Process of 1,3-Dithiole-2-thione

There total 13 articles about 1,3-Dithiole-2-thione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

1,2,3-thiadiazole (288-48-2) + carbon disulfide (75-15-0,12122-00-8) → 1,3-dithiol-2-thione (930-35-8)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; tert-butyl alcohol; for 2h; Ambient temperature;

Reference yield: 82.0%

carbon disulfide (75-15-0,12122-00-8) + trimethylsilylacetylene (1066-54-2) → 1,3-dithiol-2-thione (930-35-8)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; -78 deg C, 30 min; -78 to 0, 2 h; 0 deg C, 2 h; -90 deg C, 3 min;

DOI:10.1055/s-1997-787

Reference yield: 54.0%

2-piperidino-1,3-dithiolium tetraphenylboron (123435-55-2) → 1,3-dithiol-2-thione (930-35-8)

Guidance literature:

With sodium hydrogensulfide; In acetic acid; N,N-dimethyl-formamide; at 60 ℃;

upstream raw materials:

pyridine

2-methylthio-1,3-dithiolium iodide

1,3-dithiol-2-one

acetylene

Downstream raw materials:

ethene-1,2-dithiol

potassium trithiocarbonate

3-Phenyl-1-oxa-4,6,9-trithiaspiro<4.4>non-7-en

tetrathiafulvalene

Refernces

• 1、 Klingsberg. "-". . p. 3410. Retrieved 1962.
• 2、 Takimiya,Morikami,Otsubo. "A Convenient Preparation of 1,3-Dithiole-2-thione and 1,3-Diselenole-2-selone Derivatives". . p. 319 - 321. Retrieved 2007/10/03.
• 3、 Guziec, Frank S.,Russo, Joseph M.,Torres, Felix F.,Long, G. Cornell,Tellez, Mario R.. "Key Intermediates for the Synthesis of Organic Semiconductors: a Direct Dithiocarbamate Route to Unsubstituted 1,3-Dithiol-2-one Derivatives". . p. 1068 - 1070. Retrieved 2007/10/02.