Basic information
- CAS
42024-63-5- Standard SMILES
CCCOc1ccc(CC(=O)OC)cc1CSC(N)=[NH2+].[Cl-]- InChIKey
AJRODWWJXBNZOA-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2O3S
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0961414
Names & identifiers
- Preferred name
- 3-(((Aminoiminomethyl)thio)methyl)-4-propoxybenzeneacetic acid methylester monohydrochloride
- IUPAC
- [amino-[[5-(2-methoxy-2-oxoethyl)-2-propoxyphenyl]methylsulfanyl]methylidene]azanium chloride
Names & synonyms
3-(((Aminoiminomethyl)thio)methyl)-4-propoxybenzeneacetic acid methylester monohydrochloride42024-63-5Benzeneacetic acid, 3-(((aminoiminomethyl)thio)methyl)-4-propoxy-, methyl ester, monohydrochloride
Database identifiers
- CAS
42024-63-5- PubChem CID
- 39107
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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