Cas no 88738-53-8 (4-(benzylsulfinyl)butan-2-one)
4-(benzylsulfinyl)butan-2-one structure
Product Name:4-(benzylsulfinyl)butan-2-one
CAS No:88738-53-8
MF:C11H14O2S
MW:210.292662143707
CID:993344
PubChem ID:343186
Update Time:2025-04-20
4-(benzylsulfinyl)butan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 4-(benzylsulfinyl)butan-2-one
- AKOS013964866
- NSC-382288
- 4-(Phenylmethanesulfinyl)butan-2-one
- NSC382288
- DTXSID30321836
- 88738-53-8
- 4-benzylsulfinylbutan-2-one
- DS-005290
-
- Inchi： 1S/C11H14O2S/c1-10(12)7-8-14(13)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
- InChI Key： PTTZUOBWIXZDQD-UHFFFAOYSA-N
- SMILES： S(CC1C=CC=CC=1)(CCC(C)=O)=O
Computed Properties
- Exact Mass: 210.07145086g/mol
- Monoisotopic Mass: 210.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 53.4?2
4-(benzylsulfinyl)butan-2-one Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
88738-53-8 (4-(benzylsulfinyl)butan-2-one) Related Products
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