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16718-05-1 | Thiophene, 3-(phenylsulfonyl)-
CAS No: 16718-05-1 Catalog No: AG001X6S MDL No:MFCD00052136
Product Description
Catalog Number:
AG001X6S
Chemical Name:
Thiophene, 3-(phenylsulfonyl)-
CAS Number:
16718-05-1
Molecular Formula:
C10H8O2S2
Molecular Weight:
224.2993
MDL Number:
MFCD00052136
IUPAC Name:
3-(benzenesulfonyl)thiophene
InChI:
InChI=1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H
InChI Key:
LGGLKPFTYFIQSY-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cscc1)c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.292g/mol
Monoisotopic Mass:
223.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression. | Bioorganic & medicinal chemistry letters 20030224 |
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