Basic information
- CAS
40284-12-6- Standard SMILES
COc1ccc(CC[NH+]=C(N)CS)cc1OC.[Cl-]- InChIKey
XUZKWGHQFMAXTE-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O2S
- Average molar mass
- 290.81 g/mol
- Monoisotopic mass
- 290.0855767
Names & identifiers
- Preferred name
- Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride
- IUPAC
- (1-amino-2-sulfanylethylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride
Names & synonyms
N-(3,4-Dimethoxyphenethyl)-2-mercaptoacetamidine hydrochloride40284-12-6ACETAMIDINE, N-(3,4-DIMETHOXYPHENETHYL)-2-MERCAPTO-, HYDROCHLORIDERefChem:315648
Database identifiers
- CAS
40284-12-6- PubChem CID
- 38423
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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