4-(Octanethioylsulfanyl)butanoic acid
Basic information
- CAS
62409-82-9- Standard SMILES
CCCCCCCC(=S)SCCCC(=O)O- InChIKey
PMHNFWCFMXUGRT-UHFFFAOYSA-N- Molecular formula
- C12H22O2S2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.10612229
Names & identifiers
- Preferred name
- 4-(Octanethioylsulfanyl)butanoic acid
- IUPAC
- 4-octanethioylsulfanylbutanoic acid
Names & synonyms
62409-82-94-(Octanethioylsulfanyl)butanoic acidNSC295582DTXSID50315616NSC-295582
Database identifiers
- CAS
62409-82-9- PubChem CID
- 325965
- DTXSID
DTXSID50315616
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
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Related reactions
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Compound notes
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