Pentanethioic acid, S-ethyl ester
Basic information
- CAS
2432-92-0- Standard SMILES
CCCCC(=O)SCC- InChIKey
CGRFTVFWSJEHCI-UHFFFAOYSA-N- Molecular formula
- C7H14OS
- Average molar mass
- 146.25 g/mol
- Monoisotopic mass
- 146.07653624
Names & identifiers
- Preferred name
- Pentanethioic acid, S-ethyl ester
- IUPAC
- S-ethyl pentanethioate
- English name
- Thiovaleric acid S-ethyl ester
- Molecular weight
- 0
Names & synonyms
Pentanethioic acid, S-ethyl esterValeric acid, thio-, S-ethyl ester2432-92-0DTXSID60334252RefChem:368155DTXCID70285342CGRFTVFWSJEHCI-UHFFFAOYSA-NS-Ethyl pentanethioateThiovaleric acid S-ethyl esterS-Ethyl pentanethioate #SCHEMBL2257994SCHEMBL2257997
Database identifiers
- CAS
2432-92-0- PubChem CID
- 520118
- DTXSID
DTXSID60334252- Nikkaji
- J125.768D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 81
Physicochemical properties
- LogP
- 2.897 · 2.897 (est)
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Related reactions
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Compound notes
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