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Home Nitros 2-Hydroxy-5-nitrothiocarbanilide

2-Hydroxy-5-nitrothiocarbanilide

CAS No.:
30086-64-7
Catalog Number:
AG00BF8M
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
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Product Description
Catalog Number:
AG00BF8M
Chemical Name:
2-Hydroxy-5-nitrothiocarbanilide
CAS Number:
30086-64-7
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
MDL Number:
MFCD00123649
IUPAC Name:
1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
InChI Key:
INYFNNKRGLROQV-UHFFFAOYSA-N
SMILES:
S=C1NC2C(N1)CCCC2
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Perhydro-benzimidazole-2-thione. Acta crystallographica. Section E, Structure reports online 20090201
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties