Cas no 88525-41-1 (Pentanethioic acid, S-[5-(methylthio)pentyl] ester)
![Pentanethioic acid, S-[5-(methylthio)pentyl] ester structure](https://ossimg.kuujia.com/scimg/89000/88525-41-1x500.png)
88525-41-1 structure
Product Name:Pentanethioic acid, S-[5-(methylthio)pentyl] ester
CAS No:88525-41-1
MF:C11H22OS2
MW:234.42178106308
CID:629753
PubChem ID:13237661
Update Time:2025-04-19
Pentanethioic acid, S-[5-(methylthio)pentyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanethioic acid, S-[5-(methylthio)pentyl] ester
- S-(5-methylsulfanylpentyl) pentanethioate
- S-[5-(Methylsulfanyl)pentyl] pentanethioate
- DTXSID40531005
- 88525-41-1
-
- Inchi： 1S/C11H22OS2/c1-3-4-8-11(12)14-10-7-5-6-9-13-2/h3-10H2,1-2H3
- InChI Key： CUQUQISVXFKIAA-UHFFFAOYSA-N
- SMILES： S(C(CCCC)=O)CCCCCSC
Computed Properties
- Exact Mass: 234.11120767g/mol
- Monoisotopic Mass: 234.11120767g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 137
- 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: 3.7
- Topological Polar Surface Area: 67.7?2
Pentanethioic acid, S-[5-(methylthio)pentyl] ester Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
88525-41-1 (Pentanethioic acid, S-[5-(methylthio)pentyl] ester) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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