AG00FCIB

70102-34-0 | 3-NITRO-THIOBENZAMIDE

AG00FCIB

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CAS Number	70102-34-0
Catalog Number	AG00FCIB(AGN-PC-0NJTME)
Chemical Name	3-NITRO-THIOBENZAMIDE
IUPAC Name	3-nitrobenzenecarbothioamide
InChI	InChI=1S/C7H6N2O2S/c8-7(12)5-2-1-3-6(4-5)9(10)11/h1-4H,(H2,8,12)
InChI Key	HDQCHDWHHGEXQE-UHFFFAOYSA-N
MDL Number	MFCD09757586
Molecular Formula	C7H6N2O2S
Molecular Weight	182.1997
SMILES	S=C(N)C1=CC=CC([N+]([O-])=O)=C1
Synonyms	70102-34-0, 3-nitrobenzene-1-carbothioamide, 3-Nitrothiobenzamide, 3-nitrobenzothioamide, 3-NITRO-THIOBENZAMIDE, 3-nitrobenzenecarbothioamide, MFCD09757586, 3-nitrobenzenethioamide, 3-Nitro-thio-benzamide, AC1Q4ZYG, SCHEMBL2308208, Benzenecarbothioamide, 3-nitro-, CTK2H5305, DTXSID50506244, HDQCHDWHHGEXQE-UHFFFAOYSA-N, ZINC36378507, AKOS009866721, NE19694, 3-Nitrothiobenzamide, 97%, AldrichCPR, EN300-44002, 102N340,

Complexity	202
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	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number