AG003H1M

39718-00-8 | 2-Chlorobenzenemethanethiol

AG003H1M

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CAS Number	39718-00-8
Catalog Number	AG003H1M(AGN-PC-0JT8NW)
Chemical Name	2-Chlorobenzenemethanethiol
EC Number	254-602-5
IUPAC Name	(2-chlorophenyl)methanethiol
InChI	InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChI Key	WWFIIZLHSNBNTC-UHFFFAOYSA-N
MDL Number	MFCD00004868
Molecular Formula	C7H7ClS
Molecular Weight	158.6485
SMILES	SCc1ccccc1Cl
Synonyms	2-Chlorobenzenemethanethiol, 39718-00-8, (2-Chlorophenyl)methanethiol, 2-Chlorobenzyl mercaptan, 2-Chlorobenzylmercaptan, 2-Chloro benzyl mercaptan, MFCD00004868, 2-chloro-alpha-toluenethiol, Benzenemethanethiol, 2-chloro-, CHEMBL1224556, WWFIIZLHSNBNTC-UHFFFAOYSA-N, 2-Chlorobenzyl mercaptan, 98%, o-chlorobenzylmercaptan, PubChem6836, AC1LBDF6, AC1Q3PHW, 2-chlorophenylmethanethiol, 2-chlorophenyl-methanethiol, ACMC-1CT33, SCHEMBL646102, (2-Chlorophenyl)methanethiol #, o-chlorotoluene-α-thiol, (2-chlorophenyl)methane-1-thiol, CTK3J1402, 2-Chlorobenzenemethanethiol, 98%, ZINC409159, KS-000012AO, ANW-29150, BDBM50325565, AKOS000163896, MCULE-9764387489, NE10364, RP22233, TRA0058280, VZ24395, AC-16423, AM100766, I197, DB-020911, RT-004092, TL8006757, FT-0611922, FT-0611927, ST51029063, o-Chlorbenzylmercaptan, C7H7ClS, o-Chlorotoluene-alpha-thiol, o-Chlortoluol-alpha-thiol, D0P3XW, C7-H7-Cl-S, C11-H12-Cl3-N-O, KST-1A4566, EINECS 254-602-5, AR-1A2237, CID580759, ZINC00409159, BRN 2124191, C2068, 2-Chloro-N-(1-(3,4-dichlorophenyl)propyl)acetamide, Acetamide, 2-chloro-N-(1-(3,4-dichlorophenyl)propyl)-, 40023-30-1, 17733-22-1,

Complexity	85
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.996g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.643g/mol
Monoisotopic Mass	157.996g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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