s-(2-Cyanomethylphenyl)methylisothiourea hydrochloride
Basic information
- Standard SMILES
Cl.N#CCc1ccccc1CSC(=N)N- InChIKey
IFZGLIWCTCHTGR-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3S
- Average molar mass
- 241.74 g/mol
- Monoisotopic mass
- 241.0440463
Names & identifiers
- Preferred name
- s-(2-Cyanomethylphenyl)methylisothiourea hydrochloride
- IUPAC
- [2-(cyanomethyl)phenyl]methyl carbamimidothioate;hydrochloride
Names & synonyms
SCHEMBL851992IFZGLIWCTCHTGR-UHFFFAOYSA-Ns-(2-cyanomethylphenyl)methylisothiourea hydrochloride
Database identifiers
- PubChem CID
- 66818824
Properties
Computed structural properties
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Compound notes
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