AG003BMV

5535-49-9 | (2-Chloroethyl)(phenyl)sulfane

AG003BMV

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CAS Number	5535-49-9
Catalog Number	AG003BMV(AGN-PC-0BXAVC)
Chemical Name	(2-Chloroethyl)(phenyl)sulfane
EC Number	226-891-8
IUPAC Name	2-chloroethylsulfanylbenzene
InChI	InChI=1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key	QDXIHHOPZFCEAP-UHFFFAOYSA-N
MDL Number	MFCD00013691
Molecular Formula	C8H9ClS
Molecular Weight	172.6751
NSC Number	45458
SMILES	ClCCSC1=CC=CC=C1
Synonyms	5535-49-9, 2-Chloroethyl phenyl sulfide, (2-chloroethyl)(phenyl)sulfane, [(2-chloroethyl)thio]benzene, [(2-Chloroethyl)sulfanyl]benzene, 2-Chloroethylphenylsulfide, Benzene, [(2-chloroethyl)thio]-, 2-(Phenylthio)ethyl chloride, ((2-CHLOROETHYL)THIO)BENZENE, 2-chloroethylsulfanylbenzene, QDXIHHOPZFCEAP-UHFFFAOYSA-N, MFCD00013691, NSC45458, EINECS 226-891-8, NSC 45458, 2-phenylthioethylchloride, AC1L2IWG, AC1Q3VCB, ACMC-1AXE6, (2-chloroethylthio)benzene, 1-chloro-2phenylthioethane, (2-Chloroethyl)thiobenzene, 1-chloro-2-phenylthioethane, 2-chloro-1-phenylthioethane, SCHEMBL123612, CTK3J0527, KS-00000WGA, DTXSID10203904, CS-M0048, ZINC1677372, [(2-Chloroethyl)sulfanyl]benzene #, 2-Chloroethyl phenyl sulfide, 98%, 3171AH, ANW-32298, NSC-45458, AKOS005206771, MCULE-8753205127, NE10734, TRA0069155, VZ34634, AJ-29483, AK158931, CJ-27423, Benzene, ((2-chloroethyl)thio)- (9CI), DB-052719, RT-004677, ST2402199, FT-0611944, ST51038318, EN300-51949, A830603, I09-1480, C8H9ClS, C8-H9-Cl-S, Benzene, ((2-chloroethyl)thio)-, CID21702, C1388, 5535-73-9,

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	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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