Cas no 54234-79-6 (Benzene, [(R)-propylsulfinyl]-)
![Benzene, [(R)-propylsulfinyl]- structure](https://ossimg.kuujia.com/scimg/54500/54234-79-6x500.png)
54234-79-6 structure
Product Name:Benzene, [(R)-propylsulfinyl]-
CAS No:54234-79-6
MF:C9H12OS
MW:168.255981445313
CID:355115
PubChem ID:11899676
Update Time:2025-04-19
Benzene, [(R)-propylsulfinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, [(R)-propylsulfinyl]-
- [(R)-propylsulfinyl]benzene
- (r)-propyl phenyl sulfoxide
- DTXSID60474541
- 54234-79-6
-
- Inchi： 1S/C9H12OS/c1-2-8-11(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/t11-/m1/s1
- InChI Key： QVRZWGALJMYTDQ-LLVKDONJSA-N
- SMILES： [S@](C1C=CC=CC=1)(CCC)=O
Computed Properties
- Exact Mass: 168.06096
- Monoisotopic Mass: 168.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- PSA: 17.07
- LogP: 3.06990
Benzene, [(R)-propylsulfinyl]- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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