Cas no 62256-14-8 (Thiophene, 4-(phenylsulfonyl)-2-(phenylthio)-)
62256-14-8 structure
Product Name:Thiophene, 4-(phenylsulfonyl)-2-(phenylthio)-
CAS No:62256-14-8
MF:C16H12O2S3
MW:332.460280418396
CID:452254
PubChem ID:71388241
Update Time:2025-04-19
Thiophene, 4-(phenylsulfonyl)-2-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 4-(phenylsulfonyl)-2-(phenylthio)-
- 4-(benzenesulfonyl)-2-phenylsulfanylthiophene
- DTXSID30810316
- 4-(Benzenesulfonyl)-2-(phenylsulfanyl)thiophene
- 62256-14-8
-
- Inchi： 1S/C16H12O2S3/c17-21(18,14-9-5-2-6-10-14)15-11-16(19-12-15)20-13-7-3-1-4-8-13/h1-12H
- InChI Key： FXCIWSYEYIVJHD-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1=CSC(=C1)SC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 332.00006
- Monoisotopic Mass: 331.99994314g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 417
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 96.1?2
Experimental Properties
- PSA: 34.14
Thiophene, 4-(phenylsulfonyl)-2-(phenylthio)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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