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Home > Nitro Compounds > 140423-16-1
140423-16-1 | Thiophene, 3-[4-(methylthio)phenyl]-2-(4-nitrophenyl)-
CAS No: 140423-16-1 Catalog No: AG001CF7 MDL No:
Product Description
Catalog Number:
AG001CF7
Chemical Name:
Thiophene, 3-[4-(methylthio)phenyl]-2-(4-nitrophenyl)-
CAS Number:
140423-16-1
Molecular Formula:
C17H13NO2S2
Molecular Weight:
327.4206
IUPAC Name:
3-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)thiophene
InChI:
InChI=1S/C17H13NO2S2/c1-21-15-8-4-12(5-9-15)16-10-11-22-17(16)13-2-6-14(7-3-13)18(19)20/h2-11H,1H3
InChI Key:
PVEMGWHECPBHMN-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccsc1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.039g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.416g/mol
Monoisotopic Mass:
327.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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