AG00258U

17733-22-1 | Benzene, 1-chloro-2-(methylthio)-

AG00258U

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CAS Number	17733-22-1
Catalog Number	AG00258U(AGN-PC-0WA6K2)
Chemical Name	Benzene, 1-chloro-2-(methylthio)-
IUPAC Name	1-chloro-2-methylsulfanylbenzene
InChI	InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key	IHLDFHCSSCVPQW-UHFFFAOYSA-N
MDL Number	MFCD00040124
Molecular Formula	C7H7ClS
Molecular Weight	158.6485
SMILES	CSC1=CC=CC=C1Cl
Synonyms	2-chlorophenyl methyl sulfide, 2-CPMS, 2-Chlorothioanisole, 17733-22-1, 2-Chlorophenyl methyl sulfide, 2-chloro thioanisole, 1-Chloro-2-(methylthio)benzene, (2-chlorophenyl)(methyl)sulfane, 1-chloro-2-(methylsulfanyl)benzene, 2-Chlorophenyl methyl sulphide, 1-chloro-2-methylsulfanylbenzene, Benzene, 1-chloro-2-(methylthio)-, 1-chloranyl-2-methylsulfanyl-benzene, 2-Cpms, chlorothioanisole, o-Chlorothioanisole, PubChem10643, ACMC-1C5PH, chlorophenyl methyl sulfide, 2-Chlorothioanisole, 96%, 1-chloro-2-methylthiobenzene, 2-chloro-1-methylthiobenzene, KSC490K3D, o-chlorophenyl methyl sulphide, SCHEMBL255293, AC1MC772, CTK3J0531, IHLDFHCSSCVPQW-UHFFFAOYSA-, KS-00000XDW, Methyl (2-chlorophenyl) sulfide, IHLDFHCSSCVPQW-UHFFFAOYSA-N, ZINC404216, Benzene,1-chloro-2-(methylthio)-, ACN-S003904, EINECS 254-602-5, ANW-22870, MFCD00040124, RW3531, SBB058978, AKOS005064149, AS04287, MCULE-4455952655, PS-3005, QC-2149, RP22237, RTR-008093, TRA0075533, VZ24442, 1-CHLORO-2-METHYLSULFANYL-BENZENE, L223, SC-15997, ZB013409, AB0014593, DB-044295, TR-008093, FT-0611662, ST51041414, Y-8852, A812251, A824705, I09-1417, J-509016, J-509181, InChI=1/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3, 2-Chlorobenzyl mercaptan, 2-Chlorothiosanisole, C7CH7ClS, C7H7ClS, o-Chlorotoluene-alpha-thiol, C7C-H7-Cl-S, ZINC00404216, CID2737363, C2069, 39718-00-8,

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	0
Isotope Atom Count	0
Molecular Weight	158.643g/mol
Monoisotopic Mass	157.996g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3334

Certificate of Analysis

Lot Number