2-Cyanothioacetamide - CAS 7357-70-2

Catalog:	BB034877
Product Name:	2-Cyanothioacetamide
CAS:	7357-70-2
Synonyms:	2-cyanoethanethioamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-cyanoethanethioamide
Description:	2-Cyanothioacetamide (CAS# 7357-70-2) is also used in organic synthesis to act as a CH acid component, and is also known to self-transform in the presence of bases.
Molecular Weight:	100.14
Molecular Formula:	C3H4N2S
Canonical SMILES:	C(C#N)C(=S)N
InChI:	InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChI Key:	BHPYMZQTCPRLNR-UHFFFAOYSA-N
Boiling Point:	264 °C at 760 mmHg
Density:	1.25 g/cm³
MDL:	MFCD00010025
LogP:	0.88648

Publication Number	Title	Priority Date
RU-2755349-C1	Application of benzyl 6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}thio)-2-methyl-4-(4-chlorophenyl)-5-cyano-1,4-dihydropyridine-3-carboxylate as hepatoprotective agent	20210216
CN-112574127-A	Quinazoline compound, preparation method thereof, pharmaceutical composition and application thereof	20201209
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021095032-A1	Glucose uptake inhibitors and uses thereof	20191113

PMID	Publication Date	Title	Journal
22606028	20120101	A novel and expedient approach to new thiazoles, thiazolo[3,2-a]pyridines, dihydrothiophenes, and hydrazones incorporating thieno[2,3-b]thiophene moiety	International journal of molecular sciences
21512449	20110420	Synthesis and anticancer activity of some novel tetralin-6-yl-pyrazoline, 2-thioxopyrimidine, 2-oxopyridine, 2-thioxo-pyridine and 2-iminopyridine derivatives	Molecules (Basel, Switzerland)
19398146	20090901	Synthesis and anti-tumor activities of some new pyridines and pyrazolo[1,5-a]pyrimidines	European journal of medicinal chemistry
19067214	20090201	Ionic liquid promoted preparation of 4H-thiopyran and pyrimidine nucleoside-thiopyran hybrids through one-pot multi-component reaction of thioamide	Molecular diversity
18269251	20080301	One-pot synthesis of diverse 4-di(tri)fluoromethyl-3-cyanopyridine-2(1H)-thiones and their utilities in the cascade synthesis of annulated heterocycles	Journal of combinatorial chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	98.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.00951931
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.00951931
Rotatable Bond Count:	1
Topological Polar Surface Area:	81.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4