Basic information
- CAS
2151-66-8- Standard SMILES
CCCCCCC(=O)O.N=C(N)SCc1ccccc1- InChIKey
BCDYYEVYAMJRBL-UHFFFAOYSA-N- Molecular formula
- C15H24N2O2S
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15584919
Names & identifiers
- Preferred name
- Benzyl carbamimidothioate;heptanoic acid
- IUPAC
- benzyl carbamimidothioate;heptanoic acid
Names & synonyms
2151-66-8NSC405679DTXSID70324083NSC-405679Heptanoic acid--benzyl carbamimidothioate (1/1)
Database identifiers
- CAS
2151-66-8- PubChem CID
- 347169
- DTXSID
DTXSID70324083
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…