Cas no 81291-61-4 (Pentanethioic acid, S-butyl ester)
81291-61-4 structure
Product Name:Pentanethioic acid, S-butyl ester
CAS No:81291-61-4
MF:C9H18OS
MW:174.303621768951
CID:704191
PubChem ID:12911237
Update Time:2025-04-19
Pentanethioic acid, S-butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanethioic acid, S-butyl ester
- S-butyl pentanethioate
- DTXSID90512768
- 81291-61-4
-
- Inchi： 1S/C9H18OS/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
- InChI Key： BIZKYHSPNIBTKQ-UHFFFAOYSA-N
- SMILES： S(C(CCCC)=O)CCCC
Computed Properties
- Exact Mass: 174.10783637g/mol
- Monoisotopic Mass: 174.10783637g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 102
- 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: 3.3
- Topological Polar Surface Area: 42.4?2
Pentanethioic acid, S-butyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
81291-61-4 (Pentanethioic acid, S-butyl ester) Related Products
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