Basic information
- Standard SMILES
CCSC(=N)Nc1cccc(CN(C)C)c1- InChIKey
SLRUAOCYMIHSTR-UHFFFAOYSA-N- Molecular formula
- C12H19N3S
- Average molar mass
- 237.37 g/mol
- Monoisotopic mass
- 237.12996879
Names & identifiers
- Preferred name
- N-(3-(S-ethylisothioureido)phenylmethyl)dimethylamine
- IUPAC
- ethyl N'-[3-[(dimethylamino)methyl]phenyl]carbamimidothioate
Names & synonyms
SCHEMBL27477898SLRUAOCYMIHSTR-UHFFFAOYSA-NN-(3-(S-ethylisothioureido)phenylmethyl)dimethylamine
Database identifiers
- PubChem CID
- 22981043
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
1 records
Compound notes
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