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Basic information
- Standard SMILES
Cl.N=C(CS)N1CCNC(=O)C1- InChIKey
FIAIRWBTJPCSCK-UHFFFAOYSA-N- Molecular formula
- C6H12ClN3OS
- Average molar mass
- 209.7 g/mol
Names & identifiers
- Preferred name
- 2-(3-Oxopiperazin-1-yl)-2-iminoethylmercaptan hydrochloride
- IUPAC
- 4-(2-sulfanylethanimidoyl)piperazin-2-one;hydrochloride
Names & synonyms
SCHEMBL9835396FIAIRWBTJPCSCK-UHFFFAOYSA-N2-(3-oxopiperazin-1-yl)-2-iminoethylmercaptan hydrochloride
Database identifiers
- PubChem CID
- 21292995
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Related reactions
4 records
Compound notes
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