AG002RKL

26060-30-0 | 4-nitrothiobenzamide

AG002RKL

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CAS Number	26060-30-0
Catalog Number	AG002RKL(AGN-PC-0KNOIQ)
Chemical Name	4-nitrothiobenzamide
IUPAC Name	4-nitrobenzenecarbothioamide
InChI	InChI=1S/C7H6N2O2S/c8-7(12)5-1-3-6(4-2-5)9(10)11/h1-4H,(H2,8,12)
InChI Key	MDBQPBMIZPCKAJ-UHFFFAOYSA-N
MDL Number	MFCD10018453
Molecular Formula	C7H6N2O2S
Molecular Weight	182.1997
SMILES	S=C(N)C1=CC=C([N+]([O-])=O)C=C1
Synonyms	4-Nitrobenzothioamide, 26060-30-0, 4-NITRO-THIOBENZAMIDE, 4-Nitrothiobenzamide, 4-nitrobenzene-1-carbothioamide, 4-nitrobenzenecarbothioamide, Benzenecarbothioamide, 4-nitro-, 34496-30-5, Benzenecarbothioamide,4-nitro-, MFCD06150000, p-Nitrothiobenzamide, 4-Nitro-thiobenzamid, AC1MHD8E, AC1Q4ZYX, 4-nitro-benzenecarbothioamide, 4-nitrobenzene-carbothioamide, SCHEMBL874833, CTK4F7012, DTXSID50388209, MDBQPBMIZPCKAJ-UHFFFAOYSA-N, ALBB-023909, ZINC30836485, amino(4-nitrophenyl)methane-1-thione, AKOS009544451, AB23006, MCULE-6404822275, RP03273, 4-Nitrothiobenzamide, 97%, AldrichCPR, AJ-84190, SY046171, 4CH-025124, FT-0736394, FT-0766249, ST24043946, ST45023011, Y8488, EN300-42475, MFCD06150000 (97%), Z-4754, 060N300, J-515874, C7H6N2O2S, AIDS009543, CID3000564,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.197g/mol
Monoisotopic Mass	182.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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