Basic information
- CAS
345581-27-3- Standard SMILES
N#CC(=CO)SC1CCCC1- InChIKey
LMWSFSZIIGVDKC-UHFFFAOYSA-N- Molecular formula
- C8H11NOS
- Average molar mass
- 169.25 g/mol
- Monoisotopic mass
- 169.05613515
Names & identifiers
- Preferred name
- 2-(Cyclopentylsulfanyl)-3-hydroxyprop-2-enenitrile
- IUPAC
- 2-cyclopentylsulfanyl-3-hydroxyprop-2-enenitrile
Names & synonyms
345581-27-32-(Cyclopentylsulfanyl)-3-hydroxyprop-2-enenitrileDTXSID90784766
Database identifiers
- CAS
345581-27-3- PubChem CID
- 71361007
- DTXSID
DTXSID90784766
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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