AG003J5C

2227-62-5 | 3-Bromobenzothioamide

AG003J5C

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CAS Number	2227-62-5
Catalog Number	AG003J5C(AGN-PC-0KKLL3)
Chemical Name	3-Bromobenzothioamide
IUPAC Name	3-bromobenzenecarbothioamide
InChI	InChI=1S/C7H6BrNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key	YCFFEUUASMKLDX-UHFFFAOYSA-N
MDL Number	MFCD04973313
Molecular Formula	C7H6BrNS
Molecular Weight	216.0982
SMILES	S=C(C1=CC=CC(Br)=C1)N
Synonyms	3-Bromothiobenzamide, 2227-62-5, 3-Bromobenzenecarbothioamide, 3-BROMOBENZOTHIOAMIDE, Benzenecarbothioamide,3-bromo-, 3-bromo-thiobenzamide, Benzenecarbothioamide, 3-bromo-, 3-BROMOBENZENE-1-CARBOTHIOAMIDE, amino(3-bromophenyl)methane-1-thione, AC1MBVAA, ACMC-1CBYQ, 3-Bromothiobenzamide, 97%, 3-bromanylbenzenecarbothioamide, SCHEMBL2221662, CTK4E9080, DTXSID40176814, YCFFEUUASMKLDX-UHFFFAOYSA-N, HMS1759D14, ZINC2540594, MFCD04973313, SBB095206, AKOS001060926, AB21268, MCULE-8482981936, VZ26524, AS-44297, CJ-09215, SC-54283, DB-045864, TC-169771, FT-0634150, ST51042052, V4474, A816078, J-014621, Z56985752, C7H6BrNS, C7-H6-Br-N-S, ZINC02540594, CID2757186,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.94g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.096g/mol
Monoisotopic Mass	214.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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