Basic information
- CAS
20611-11-4- Standard SMILES
CCCCCCCCCCC(O)CS- InChIKey
GGMUJCCSBRQVTP-UHFFFAOYSA-N- Molecular formula
- C12H26OS
- Average molar mass
- 218.4 g/mol
- Monoisotopic mass
- 218.17043662
Names & identifiers
- Preferred name
- 1-Mercaptododecan-2-ol
- IUPAC
- 1-sulfanyldodecan-2-ol
- English name
- 1-mercaptododecan-2-ol
- Molecular formula
- C12H26OS
- Molecular weight
- 218.4
Names & synonyms
20611-11-41-sulfanyldodecan-2-ol1-Mercaptododecan-2-olEINECS 243-918-9SCHEMBL7791306DTXSID40942798GGMUJCCSBRQVTP-UHFFFAOYSA-NNS000514491-Mercapto-2-dodecanol2-Dodecanol, 1-mercapto-
Database identifiers
- CAS
20611-11-4- PubChem CID
- 89360
- DTXSID
DTXSID40942798- EC Number
- 243-918-9
- Nikkaji
- J203.065I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- LogP
- 4.9 · 4.900 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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