4-Thiaundecane
Basic information
- CAS
24768-46-5- Standard SMILES
CCCCCCCSCCC- InChIKey
PCPVCHFKVPNTBH-UHFFFAOYSA-N- Molecular formula
- C10H22S
- Average molar mass
- 174.35 g/mol
- Monoisotopic mass
- 174.14422188
Names & identifiers
- Preferred name
- 4-Thiaundecane
- IUPAC
- 1-propylsulfanylheptane
Names & synonyms
4-Thiaundecane24768-46-5DTXSID10335355RefChem:296530DTXCID60286444PCPVCHFKVPNTBH-UHFFFAOYSA-NPROPYL HEPTYL SULFIDEheptyl propyl sulfideSCHEMBL7829248SCHEMBL7840276SCHEMBL107769141-(PROPYLSULFANYL)HEPTANE
Database identifiers
- CAS
24768-46-5- PubChem CID
- 524802
- DTXSID
DTXSID10335355
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 61.9
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Compound notes
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