Basic information
- CAS
42024-64-6- Standard SMILES
CCCCOc1ccc(CC(=O)OC)cc1CSC(N)=[NH2+].[Cl-]- InChIKey
XGRBPUNRCPMARZ-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O3S
- Average molar mass
- 346.9 g/mol
- Monoisotopic mass
- 346.1117915
Names & identifiers
- Preferred name
- 3-(((Aminoiminomethyl)thio)methyl)-4-butoxybenzeneacetic acid methyl ester monohydrochloride
- IUPAC
- [amino-[[2-butoxy-5-(2-methoxy-2-oxoethyl)phenyl]methylsulfanyl]methylidene]azanium chloride
Names & synonyms
42024-64-63-(((Aminoiminomethyl)thio)methyl)-4-butoxybenzeneacetic acid methyl ester monohydrochloride3-(((Aminoiminomethyl)thio)methyl)-4-butoxybenzeneacetic acid methyl ester monohydrochlorideBenzeneacetic acid, 3-(((aminoiminomethyl)thio)methyl)-4-butoxy-, methyl ester, monohydrochloride
Database identifiers
- CAS
42024-64-6- PubChem CID
- 39109
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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