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Home > Nitro Compounds > 13195-52-3
13195-52-3 | Thiophene, 4-nitro-2-(phenylthio)-
CAS No: 13195-52-3 Catalog No: AG000ZY9 MDL No:
Product Description
Catalog Number:
AG000ZY9
Chemical Name:
Thiophene, 4-nitro-2-(phenylthio)-
CAS Number:
13195-52-3
Molecular Formula:
C10H7NO2S2
Molecular Weight:
237.2981
IUPAC Name:
4-nitro-2-phenylsulfanylthiophene
InChI:
InChI=1S/C10H7NO2S2/c12-11(13)8-6-10(14-7-8)15-9-4-2-1-3-5-9/h1-7H
InChI Key:
UQSLRJMHOBSEIZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1csc(c1)Sc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.291g/mol
Monoisotopic Mass:
236.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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