Basic information
- Standard SMILES
CCCCC(C)C(=O)N=C=S- InChIKey
SADZRPGFNDTNRY-UHFFFAOYSA-N- Molecular formula
- C8H13NOS
- Average molar mass
- 171.26 g/mol
Names & identifiers
- Preferred name
- 2-Methylhexanoyl isothiocyanate
- IUPAC
- 2-methylhexanoyl isothiocyanate
Names & synonyms
2-methylhexanoyl isothiocyanateSCHEMBL5824403SADZRPGFNDTNRY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21890727
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Related reactions
4 records
Linked notes
Loading…