Cas no 89265-34-9 (Benzene, 1-(propylsulfonyl)-2-(propylthio)-)
89265-34-9 structure
Product Name:Benzene, 1-(propylsulfonyl)-2-(propylthio)-
CAS No:89265-34-9
MF:C12H18O2S2
MW:258.400121212006
CID:606163
PubChem ID:21285349
Update Time:2025-04-19
Benzene, 1-(propylsulfonyl)-2-(propylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(propylsulfonyl)-2-(propylthio)-
- 1-propylsulfanyl-2-propylsulfonylbenzene
- SCHEMBL10351662
- 1-(Propane-1-sulfonyl)-2-(propylsulfanyl)benzene
- 89265-34-9
- DTXSID60612002
-
- Inchi： 1S/C12H18O2S2/c1-3-9-15-11-7-5-6-8-12(11)16(13,14)10-4-2/h5-8H,3-4,9-10H2,1-2H3
- InChI Key： KUXJVKUYDZKRRR-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1SCCC)(CCC)(=O)=O
Computed Properties
- Exact Mass: 258.07482216g/mol
- Monoisotopic Mass: 258.07482216g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 280
- 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: 3.5
- Topological Polar Surface Area: 67.8?2
Benzene, 1-(propylsulfonyl)-2-(propylthio)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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