1-Nonadecanethiol
Basic information
- CAS
53193-23-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCS- InChIKey
YNESSCJHABBEIO-UHFFFAOYSA-N- Molecular formula
- C19H40S
- Average molar mass
- 300.6 g/mol
- Monoisotopic mass
- 300.28507245
Names & identifiers
- Preferred name
- 1-Nonadecanethiol
- IUPAC
- nonadecane-1-thiol
Names & synonyms
1-Nonadecanethiol53193-23-0DTXSID90347512RefChem:232485DTXCID80298584YNESSCJHABBEIO-UHFFFAOYSA-Nnonadecane-1-thiolSCHEMBL270812SCHEMBL451731SCHEMBL20473160
Database identifiers
- CAS
53193-23-0- PubChem CID
- 622397
- DTXSID
DTXSID90347512- Nikkaji
- J805.016C
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 156
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Related reactions
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Compound notes
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