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Home > Nitro Compounds > 1251231-96-5
1251231-96-5 | 5-nitro-2-(thiophen-2-ylsulfanyl)aniline
CAS No: 1251231-96-5 Catalog No: AG01A1H9 MDL No:MFCD16777969
Product Description
Catalog Number:
AG01A1H9
Chemical Name:
5-nitro-2-(thiophen-2-ylsulfanyl)aniline
CAS Number:
1251231-96-5
Molecular Formula:
C10H8N2O2S2
Molecular Weight:
252.3127
MDL Number:
MFCD16777969
IUPAC Name:
5-nitro-2-thiophen-2-ylsulfanylaniline
InChI:
InChI=1S/C10H8N2O2S2/c11-8-6-7(12(13)14)3-4-9(8)16-10-2-1-5-15-10/h1-6H,11H2
InChI Key:
OKFFNHCCCNRROG-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1Sc1cccs1)[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.306g/mol
Monoisotopic Mass:
252.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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