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146746-79-4

146746-79-4 | Benzenethiol, 2-amino-3-methyl-5-nitro-

CAS No: 146746-79-4 Catalog No: AG001EA6 MDL No:

Product Description

Catalog Number:
AG001EA6
Chemical Name:
Benzenethiol, 2-amino-3-methyl-5-nitro-
CAS Number:
146746-79-4
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
IUPAC Name:
2-amino-3-methyl-5-nitrobenzenethiol
InChI:
InChI=1S/C7H8N2O2S/c1-4-2-5(9(10)11)3-6(12)7(4)8/h2-3,12H,8H2,1H3
InChI Key:
DFGFXRKVXKFKGQ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1N)S)[N+](=O)[O-]

Properties

Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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