4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid
Basic information
- CAS
63018-17-7- Standard SMILES
N=C1CCCC1C(=S)SC(CC(N)=O)C(=O)O- InChIKey
YQARZTRIYXLMCM-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3S2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.04458466
Names & identifiers
- Preferred name
- 4-Amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid
- IUPAC
- 4-amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acid
Names & synonyms
63018-17-74-amino-2-(2-iminocyclopentanecarbothioyl)sulfanyl-4-oxobutanoic acidNSC303290DTXSID60316412NSC-3032904-Amino-2-[(2-iminocyclopentane-1-carbothioyl)sulfanyl]-4-oxobutanoic acid
Database identifiers
- CAS
63018-17-7- PubChem CID
- 327581
- DTXSID
DTXSID60316412
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 371
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Related reactions
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Compound notes
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