4-Methylbenzenethioamide - CAS 2362-62-1

Catalog:	BB018120
Product Name:	4-Methylbenzenethioamide
CAS:	2362-62-1
Synonyms:	4-methylbenzenecarbothioamide

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Computed Properties

IUPAC Name:	4-methylbenzenecarbothioamide
Description:	4-Methylbenzenethioamide (CAS# 2362-62-1) is a useful research chemical.
Molecular Weight:	151.23
Molecular Formula:	C8H9NS
Canonical SMILES:	CC1=CC=C(C=C1)C(=S)N
InChI:	InChI=1S/C8H9NS/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChI Key:	QXYZSNGZMDVLKN-UHFFFAOYSA-N
Boiling Point:	258.9 °C at 760 mmHg
Purity:	98+ %
Density:	1.143 g/cm³
Appearance:	Solid
MDL:	MFCD00173750
LogP:	2.32950

Publication Number	Title	Priority Date
CN-112574054-A	Efficient nitriding reagent and application thereof	20190930
WO-2020130325-A1	Graphene quantum dot composite comprising dielectric matrix, electroluminescent device comprising same, and method for preparing graphene quantum dot composite	20181220
KR-102184401-B1	Graphene quantum dot composite with dielectric matrix, electroluminescent device having the same, and method for manufacturing the graphene quantum dot composite	20181220
KR-20200077048-A	Graphene quantum dot composite with dielectric matrix, electroluminescent device having the same, and method for manufacturing the graphene quantum dot composite	20181220
WO-2020039027-A1	Pyrrolidine glycosidase inhibitors	20180822

PMID	Publication Date	Title	Journal
21579372	20100508	4-Methyl-benzene-carbothio-amide	Acta crystallographica. Section E, Structure reports online
4234663	19661101	[Chemical studies the mechanism of action of isoniazid]	Arzneimittel-Forschung

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GHS Hazard Statement:	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.04557046
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.04557046
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2