AG003O41

3970-13-6 | Benzyl(chloromethyl)sulfane

AG003O41

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CAS Number	3970-13-6
Catalog Number	AG003O41(AGN-PC-0JOYEE)
Chemical Name	Benzyl(chloromethyl)sulfane
IUPAC Name	chloromethylsulfanylmethylbenzene
InChI	InChI=1S/C8H9ClS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key	UMFDSFPDTLREFS-UHFFFAOYSA-N
MDL Number	MFCD02093436
Molecular Formula	C8H9ClS
Molecular Weight	172.6751
NSC Number	266050
SMILES	ClCSCC1=CC=CC=C1
Synonyms	Benzyl chloromethyl sulfide, 3970-13-6, Benzyl(chloromethyl)sulfane, {[(Chloromethyl)thio]methyl}benzene, chloromethylsulfanylmethylbenzene, UMFDSFPDTLREFS-UHFFFAOYSA-N, NSC266050, ACMC-1AEHD, benzyl chloromethyl thioether, chloro(phenylmethylthio)methane, SCHEMBL231574, alpha-(Chloromethylthio)toluene, AC1L817H, CTK4I1744, DTXSID90313035, ZINC1559101, 2470AE, ANW-29144, MFCD02093436, SBB055458, AKOS025116850, Benzene,[[(chloromethyl)thio]methyl]-, NSC-266050, VZ31354, KS-0000145G, ([(Chloromethyl)sulfanyl]methyl)benzene #, TC-117889, FT-0635083, C(SCCl)c1ccccc1, Benzylchloromethylsulfide, C8H9ClS, CID319930, B1937,

Complexity	79.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.011g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.67g/mol
Monoisotopic Mass	172.011g/mol
Rotatable Bond Count	3
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	8
Hazard statements	H302+H312+H332-H315-H318
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P310-P501
UN Code	UN 1760

Certificate of Analysis

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