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4-Isothiocyanato-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one is a complex organic chemical compound with the molecular formula C12H12N2OS. It is characterized by the presence of an isothiocyanate group (-N=C=S), a pyrazolone ring, and two methyl groups (-CH3) attached to the nitrogen atom. 4-ISOTHIOCYANATO-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE is a derivative of pyrazolone, which is a heterocyclic compound with potential applications in various fields, such as pharmaceuticals, agrochemicals, and dyes. The specific structure of 4-isothiocyanato-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one makes it a valuable intermediate for the synthesis of various compounds with different properties and applications.

91397-03-4

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91397-03-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 91397-03-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,3,9 and 7 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 91397-03:
(7*9)+(6*1)+(5*3)+(4*9)+(3*7)+(2*0)+(1*3)=144
144 % 10 = 4
So 91397-03-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H11N3OS/c1-9-11(13-8-17)12(16)15(14(9)2)10-6-4-3-5-7-10/h3-7H,1-2H3

91397-03-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-isothiocyanato-1,5-dimethyl-2-phenylpyrazol-3-one

1.2 Other means of identification

Product number -
Other names HMS1782F17

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:91397-03-4 SDS

91397-03-4Relevant academic research and scientific papers

ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME

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Paragraph 0094; 0096; 0118, (2013/05/21)

The present invention provides glucosinolate and isothiocyanate compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME

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Page/Page column 34, (2008/06/13)

The present invention provides glucosinolate and isothiocyante compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

Rigidified Compounds for Modulating Heparanase Activity

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Page/Page column 53, (2010/11/30)

Disclosed are novel rigidified compounds having a rhodanine-like residue and at least one aryl or heteroaryl residue linked to the rhodanine-like residue, whereby a core structure of these compounds, as defined in the specification, is characterized as having one or zero free-to-rotate bonds. Also disclosed are pharmaceutical compositions containing these rigidified compounds and uses thereof for modulating the activity of heparanase and hence in the treatment of heparanase-associated diseases and disorders, and uses thereof for modulating the activity of heparin-binding proteins and hence in the treatment of heparin-binding proteins-associated diseases and disorders as well as in the treatment of medical conditions that are at least partially treatable by rhodanine or a rhodanine analog.

A microwave-assisted solid-state synthesis and characterization of diheterocyclic thioureas

Li, Jianping,Ma, Chunming,Qu, Guirong

, p. 148 - 151 (2007/10/03)

In this study, a number of new diheterocyclic thioureas have been synthesized under microwave irradiation coupled with solvent-free condition, which proves to be simple and efficient. The structures of the prepared compounds are characterized by elemental

Synthesis and characterization of a new series of 3-(4-antipyrinyl)-2-thiohydantoin derivatives

Ma, Chun-Ming,Li, Jian-Ping,Zheng, Peng-Zhi

, p. 359 - 364 (2007/10/03)

This paper reports the reaction of 4-antipyrinyl isothiocyanate with DL-amino acids affording a new heterocyclic series of 3-(4-antipyrinyl)-2-thiohydantoin derivatives in mild conditions. The reaction proves to be simple and the experiment is easy to ope

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