AG001P9Q

15717-17-6 | 2-Chlorobenzothioamide

AG001P9Q

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CAS Number	15717-17-6
Catalog Number	AG001P9Q(AGN-PC-0KK6RH)
Chemical Name	2-Chlorobenzothioamide
IUPAC Name	2-chlorobenzenecarbothioamide
InChI	InChI=1S/C7H6ClNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChI Key	FLQYOORLPNYQEV-UHFFFAOYSA-N
MDL Number	MFCD00040955
Molecular Formula	C7H6ClNS
Molecular Weight	171.6472
SMILES	NC(C1=CC=CC=C1Cl)=S
Synonyms	2-Chlorothiobenzamide, 15717-17-6, 2-chlorobenzothioamide, 2-Chlorobenzenecarbothioamide, Benzenecarbothioamide, 2-chloro-, o-Chlorothiobenzamide, 2-chlorobenzene-1-carbothioamide, 2-chloro-thiobenzamide, FLQYOORLPNYQEV-UHFFFAOYSA-N, MFCD00040955, ACMC-1BTQA, Benzamide, o-chlorothio-, AC1MC20N, 2-chloranylbenzenecarbothioamide, Benzenecarbothioamide,2-chloro-, SCHEMBL1335840, CTK4C9289, DTXSID50166221, ZINC6095155, STK400089, AKOS002669704, amino(2-chlorophenyl)methane-1-thione, AB01839, CC-1967, MCULE-6899783142, CJ-12913, DB-020965, TC-170685, FT-0612026, ST50652418, AZ0001-0325, K-4940, 717C176, A809815, J-009386, F1967-1439, C7-H6-Cl-N-S, ZINC00166567, CID2734824,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.991g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.642g/mol
Monoisotopic Mass	170.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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