Basic information
- CAS
91340-60-2- Standard SMILES
Cc1ncc(CSC(C)CO)c(C)c1O- InChIKey
QFEHAQKYVWWSKY-UHFFFAOYSA-N- Molecular formula
- C11H17NO2S
- Average molar mass
- 227.33 g/mol
- Monoisotopic mass
- 227.09799996
Names & identifiers
- Preferred name
- 5-{[(1-Hydroxypropan-2-yl)sulfanyl]methyl}-2,4-dimethylpyridin-3-ol
- IUPAC
- 5-(1-hydroxypropan-2-ylsulfanylmethyl)-2,4-dimethylpyridin-3-ol
Names & synonyms
91340-60-2NSC710655-{[(1-hydroxypropan-2-yl)sulfanyl]methyl}-2,4-dimethylpyridin-3-olDTXSID30290795NSC-71065
Database identifiers
- CAS
91340-60-2- PubChem CID
- 251012
- DTXSID
DTXSID30290795
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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