AG003KZQ

19552-10-4 | 4-Bromobenzyl mercaptan

AG003KZQ

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CAS Number	19552-10-4
Catalog Number	AG003KZQ(AGN-PC-0JO2WB)
Chemical Name	4-Bromobenzyl mercaptan
IUPAC Name	(4-bromophenyl)methanethiol
InChI	InChI=1S/C7H7BrS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChI Key	CUCKXDPCCYHFMQ-UHFFFAOYSA-N
MDL Number	MFCD03701566
Molecular Formula	C7H7BrS
Molecular Weight	203.0995
NSC Number	114661
SMILES	SCC1=CC=C(Br)C=C1
Synonyms	4-Bromobenzyl mercaptan, 19552-10-4, (4-Bromophenyl)methanethiol, 4-bromobenzylmercaptan, 4-Bromo-alpha-toluenethiol, (4-bromophenyl)methane-1-thiol, MFCD03701566, NSC114661, ACMC-20ammu, PubChem6868, 4-Bromo-a-toluenethiol, 4-Bromophenylmethanethiol, (4-Bromobenzyl)mercaptan, 4-Bromo-|A-toluenethiol, AC1L6Q1K, SCHEMBL374827, 4-Bromobenzyl mercaptan, 97%, AC1Q265P, P-BROMOBENZENEMETHANETHIOL, CTK3J1406, DTXSID90297189, CUCKXDPCCYHFMQ-UHFFFAOYSA-N, ZINC4244655, SBB067614, AKOS000195706, MCULE-7499269746, NSC-114661, QC-7357, RP26004, TRA0037100, VZ35369, BC003196, PS-11937, DB-044913, RT-000788, TL8006774, FT-0637878, ST51042210, J-012666, J-514810, Not Available, 4-Bromobenzylmercaptane, KST-1A2462, AR-1A5628, CID271218, 1967-85-7,

Complexity	77
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.945g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.097g/mol
Monoisotopic Mass	201.945g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P262-P280
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number