AG01AM98

60671-59-2 | {[(2-bromoethyl)sulfanyl]methyl}benzene

AG01AM98

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CAS Number	60671-59-2
Catalog Number	AG01AM98(AGN-PC-00M3LR)
Chemical Name	{[(2-bromoethyl)sulfanyl]methyl}benzene
IUPAC Name	2-bromoethylsulfanylmethylbenzene
InChI	InChI=1S/C9H11BrS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key	YUSCZPWCIWNVSV-UHFFFAOYSA-N
MDL Number	MFCD12172070
Molecular Formula	C9H11BrS
Molecular Weight	231.1526
SMILES	BrCCSCC1=CC=CC=C1
Synonyms	60671-59-2, {[(2-BROMOETHYL)SULFANYL]METHYL}BENZENE, Benzyl 2-bromoethyl sulfide, SCHEMBL4093220, CTK2E9526, DTXSID20537207, ZINC35321675, AKOS009482319, Benzene, [[(2-bromoethyl)thio]methyl]-, benzyl(2-bromoethyl)sulfane,

Complexity	89.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.976g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.151g/mol
Monoisotopic Mass	229.976g/mol
Rotatable Bond Count	4
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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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