Basic information
- CAS
63916-08-5- Standard SMILES
CCOC(=O)CCSC(=N)N.Cl- InChIKey
UAHVHCBLJXRXFW-UHFFFAOYSA-N- Molecular formula
- C6H13ClN2O2S
- Average molar mass
- 212.7 g/mol
- Monoisotopic mass
- 212.0386265
Names & identifiers
- Preferred name
- Propionic acid, 3-(amidino)thio-, ethyl ester, hydrochloride
- IUPAC
- ethyl 3-carbamimidoylsulfanylpropanoate;hydrochloride
Names & synonyms
Propionic acid, 3-(amidino)thio-, ethyl ester, hydrochloride3-(Amidinothio)propionic acid, ethyl ester, monohydrochloride63916-08-5DTXSID10213629RefChem:375220DTXCID90136120Ethyl 3-(carbamimidoylsulfanyl)propanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
63916-08-5- PubChem CID
- 3048552
- DTXSID
DTXSID10213629
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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