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4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile

4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile - CAS 265326-54-3

Catalog:	BB019313
Product Name:	4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile
CAS:	265326-54-3
Synonyms:	4-(2-chlorophenyl)-5-thiadiazolecarbonitrile; 4-(2-chlorophenyl)thiadiazole-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(2-chlorophenyl)thiadiazole-5-carbonitrile
Description:	4-(2-Chlorophenyl)-1,2,3-thiadiazole-5-carbonitrile (CAS# 265326-54-3 ) is a useful research chemical.
Molecular Weight:	221.67
Molecular Formula:	C9H4ClN3S
Canonical SMILES:	C1=CC=C(C(=C1)C2=C(SN=N2)C#N)Cl
InChI:	InChI=1S/C9H4ClN3S/c10-7-4-2-1-3-6(7)9-8(5-11)14-13-12-9/h1-4H
InChI Key:	OXRDLPAZAYQTFC-UHFFFAOYSA-N
LogP:	2.73018

Publication Number	Title	Priority Date
EP-1124827-A1	3-(substituted phenyl)-5-(substituted heterocyclyl)-1,2,4-triazole compounds	19981023
ES-2249920-T3	COMPOUNDS OF 3. (SUBSTITUTED PHENYL) -5- (SUBSTITUTED HETEROCICLYL-1,2,4-TRIAZOL.	19981023
JP-2002528451-A	3- (substituted phenyl) -5- (substituted heterocyclyl) -1,2,4-triazole compound	19981023
JP-4632541-B2	3- (substituted phenyl) -5- (substituted heterocyclyl) -1,2,4-triazole compounds	19981023
US-6413997-B1	3-(substituted phenyl)-5-(substituted heterocyclyl)-1,2,4-triazole compounds	19981023

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.981446
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.981446
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8