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Home > Nitro Compounds > 1849-36-1

1849-36-1

1849-36-1 | 4-Nitrothiophenol

CAS No: 1849-36-1 Catalog No: AG003LWT MDL No:MFCD00007343

Product Description

Catalog Number:
AG003LWT
Chemical Name:
4-Nitrothiophenol
CAS Number:
1849-36-1
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
MDL Number:
MFCD00007343
IUPAC Name:
4-nitrobenzenethiol
InChI:
InChI=1S/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H
InChI Key:
AXBVSRMHOPMXBA-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)[N+](=O)[O-]
EC Number:
217-436-4
NSC Number:
128182

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

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