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22407-40-5 | 2-(Phenylsulfonyl)thiophene
CAS No: 22407-40-5 Catalog No: AG003GKO MDL No:MFCD00052142
Product Description
Catalog Number:
AG003GKO
Chemical Name:
2-(Phenylsulfonyl)thiophene
CAS Number:
22407-40-5
Molecular Formula:
C10H8O2S2
Molecular Weight:
224.2993
MDL Number:
MFCD00052142
IUPAC Name:
2-(benzenesulfonyl)thiophene
InChI:
InChI=1S/C10H8O2S2/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
InChI Key:
SRWXKQSZSIGHCO-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccs1)c1ccccc1
NSC Number:
140131
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:
2.7
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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