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Home Nitros Benzenemethanethiol,4-nitro-

Benzenemethanethiol,4-nitro-

CAS No.:
26798-33-4
Catalog Number:
AG007MQW
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
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Product Description
Catalog Number:
AG007MQW
Chemical Name:
Benzenemethanethiol,4-nitro-
CAS Number:
26798-33-4
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD00024785
IUPAC Name:
(4-nitrophenyl)methanethiol
InChI:
InChI=1S/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2
InChI Key:
ACFHLWCEZHYYKX-UHFFFAOYSA-N
SMILES:
SCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Crystallographic and functional characterization of the fluorodifen-inducible glutathione transferase from Glycine max reveals an active site topography suited for diphenylether herbicides and a novel L-site. Journal of molecular biology 20090123
Properties