AG003J4Z

21327-14-0 | 1-(3-Bromophenyl)thiourea

AG003J4Z

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CAS Number	21327-14-0
Catalog Number	AG003J4Z(AGN-PC-0KK787)
Chemical Name	1-(3-Bromophenyl)thiourea
IUPAC Name	(3-bromophenyl)thiourea
InChI	InChI=1S/C7H7BrN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key	XBRVSIPVHYWULW-UHFFFAOYSA-N
MDL Number	MFCD00060440
Molecular Formula	C7H7BrN2S
Molecular Weight	231.1129
SMILES	NC(=S)NC1=CC(Br)=CC=C1
Synonyms	1-(3-bromophenyl)thiourea, 21327-14-0, 1-(3-Bromophenyl)-2-thiourea, (3-bromophenyl)thiourea, 3-bromophenylthiourea, N-(3-bromophenyl)thiourea, Thiourea, (3-bromophenyl)-, amino[(3-bromophenyl)amino]methane-1-thione, m-bromophenyl-thiourea, PubChem14268, ACMC-1CG6G, (3-Bromo-phenyl)-thiourea, AC1MC3Q4, KSC546K0P, Thiourea,N-(3-bromophenyl)-, AC1Q502S, SCHEMBL1621739, CTK4E6507, DTXSID00370836, XBRVSIPVHYWULW-UHFFFAOYSA-N, ACN-S004613, KS-00000C9I, ZINC2528129, ANW-24403, EBD213039, MFCD00060440, AKOS001141969, MCULE-8770075000, RP05548, THIOUREA, N-(3-BROMOPHENYL)-, TRA0033903, NCGC00333735-01, AJ-38224, BC003838, CJ-09007, CS-11356, SC-58156, SC-64655, SY017108, 1-(3-bromophenyl)-2-thiourea, AldrichCPR, AB0040607, DB-018494, TR-010008, B4998, CS-0037768, FT-0638112, ST24037198, ST51041862, Y8238, EN300-15008, B-7854, AB01323492-02, MFCD00060440 (97+%), A815275, I09-2129, W-206618, F2167-3917, Z114956100, C7H7BrN2S, 1- -2-THIOUREA, ZINC02528129, CID2735619,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.951g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	231.111g/mol
Monoisotopic Mass	229.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310+P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

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