Basic information
- Standard SMILES
N#CC(O)c1cccs1- InChIKey
MDOLBFYWOIYESI-UHFFFAOYSA-N- Molecular formula
- C6H5NOS
- Average molar mass
- 139.18 g/mol
Names & identifiers
- Preferred name
- Thien-2-yl-hydroxyacetonitrile
- IUPAC
- 2-hydroxy-2-thiophen-2-ylacetonitrile
Names & synonyms
Thien-2-yl-hydroxyacetonitrileSCHEMBL5582105MDOLBFYWOIYESI-UHFFFAOYSA-NAKOS010601772
Database identifiers
- PubChem CID
- 11469116
- Nikkaji
- J841.995G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 139
Related reactions
2 records
Linked notes
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