Basic information
- Standard SMILES
CNC(=S)NCCCCc1c[nH]cn1- InChIKey
HXRBAVXGYZUSED-UHFFFAOYSA-N- Molecular formula
- C9H16N4S
- Average molar mass
- 212.32 g/mol
- Monoisotopic mass
- 212.1095677
Names & identifiers
- IUPAC
- N-[4-(1H-imidazol-5-yl)butyl]-N'-methylcarbamimidothioic acid
Database identifiers
- PubChem CID
- 37018
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
3 records
Compound notes
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