AG0033YU

106-53-6 | 4-Bromobenzenethiol

AG0033YU

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CAS Number	106-53-6
Catalog Number	AG0033YU(AGN-PC-0JL6YB)
Chemical Name	4-Bromobenzenethiol
EC Number	203-407-3
IUPAC Name	4-bromobenzenethiol
InChI	InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChI Key	FTBCOQFMQSTCQQ-UHFFFAOYSA-N
MDL Number	MFCD00004845
Molecular Formula	C6H5BrS
Molecular Weight	189.0729
SMILES	SC1=CC=C(Br)C=C1
UNII	P3WUO03X17
Synonyms	4-bromothiophenol, p-bromobenzenethiol, 4-Bromothiophenol, 4-Bromobenzenethiol, 106-53-6, p-Bromobenzenethiol, p-Bromothiophenol, Benzenethiol, 4-bromo-, 4-bromobenzene-1-thiol, 4-Bromo-benzenethiol, p-Bromophenyl thiol, 4-bromo thiophenol, Benzenethiol, p-bromo-, UNII-P3WUO03X17, MFCD00004845, 4-Bromothiophenol, 95%, P3WUO03X17, FTBCOQFMQSTCQQ-UHFFFAOYSA-N, 4-bromothiophenol,98%, C6H5BrS, 4-bromobenzenthiol, 4-bromo-thiophenol, 4bromo-benzenethiol, EINECS 203-407-3, NSC 32018, 4-Bromobenzene thiol, PubChem4043, 4-Bromophenyl mercaptan, ACMC-1BQA6, AC1L24IB, SCHEMBL17193, KSC177G4L, CHEMBL278240, Jsp000587, Benzenethiol, p-bromo- (8CI), DTXSID8059340, CTK0H7345, FTBCOQFMQSTCQQ-UHFFFAOYSA-, KS-00000XCV, Benzenethiol, Bromophenylmercaptane, ZINC164869, ACT03281, NSC32018, STR00881, ANW-15409, NSC-32018, NSC229563, SBB055148, AKOS000120404, MCULE-1195495313, NSC-229563, RP24871, RTR-033961, TRA0035146, AK308451, BC002701, L672, SC-45947, AB1003900, DB-006744, TL8000234, TR-033961, CS-0019997, FT-0600941, ST51039894, K-0542, 82630-EP2298758A1, 82630-EP2298759A1, 82630-EP2305664A1, I09-0779, J-001607, J-514845, F0001-0127, InChI=1/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H, 2XE, 4-brombenzenthiol, 4-bromo-benzenethio, p-Bromphenylmercaptan, C6-H5-Br-S, 4-Bromothiophenol, 98% 10g, CID66049, 4-Bromothiophenol, 98% - 5G 5g, B1385,

Complexity	66.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.93g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.07g/mol
Monoisotopic Mass	187.93g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number