Basic information
- CAS
152517-47-0- Standard SMILES
CCCCC(O)CSC(C)(C)C- InChIKey
SQIWPOAQTBJFLG-UHFFFAOYSA-N- Molecular formula
- C10H22OS
- Average molar mass
- 190.35 g/mol
- Monoisotopic mass
- 190.13913649
Names & identifiers
- Preferred name
- 2-Hexanol, 1-tert-butylthio-
- IUPAC
- 1-tert-butylsulfanylhexan-2-ol
Names & synonyms
2-Hexanol, 1-tert-butylthio-SCHEMBL9425360SQIWPOAQTBJFLG-UHFFFAOYSA-N1-(tert-Butylsulfanyl)hexan-2-olDTXSID7012878501-(tert-Butylsulfanyl)-2-hexanol #AKOS0144661781-[(1,1-Dimethylethyl)thio]-2-hexanol152517-47-0
Database identifiers
- CAS
152517-47-0- PubChem CID
- 545336
- DTXSID
DTXSID701287850
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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