Basic information
- CAS
42024-61-3- Standard SMILES
COC(=O)Cc1ccc(OC)c(CSC(=N)N)c1.Cl- InChIKey
NETGIVPSKZQSIP-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O3S
- Average molar mass
- 304.79 g/mol
- Monoisotopic mass
- 304.0648413
Names & identifiers
- Preferred name
- Benzeneacetic acid, 3-(((aminoiminomethyl)thio)methyl)-4-methoxy-, methyl ester, monohydrochloride
- IUPAC
- methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-methoxyphenyl]acetate;hydrochloride
Names & synonyms
42024-61-3Benzeneacetic acid, 3-(((aminoiminomethyl)thio)methyl)-4-methoxy-, methyl ester, monohydrochloride3-(((Aminoiminomethyl)thio)methyl)-4-methoxybenzeneacetic acid methylester monohydrochloridemethyl 2-[3-(carbamimidoylsulfanylmethyl)-4-methoxyphenyl]acetate;hydrochlorideDTXSID20194854AKOS030507052SR-01000217788SR-01000217788-1Methyl {3-[(carbamimidoylsulfanyl)methyl]-4-methoxyphenyl}acetate--hydrogen chloride (1/1)methyl 2-(3-((carbamimidoylthio)methyl)-4-methoxyphenyl)acetate hydrochloride
Database identifiers
- CAS
42024-61-3- PubChem CID
- 148441
- DTXSID
DTXSID20194854
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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