2-Amino-4-(1,3-dithiolan-2-yl)butanoic acid
Basic information
- CAS
20622-37-1- Standard SMILES
NC(CCC1SCCS1)C(=O)O- InChIKey
CFSDZVVRUHVZMH-UHFFFAOYSA-N- Molecular formula
- C7H13NO2S2
- Average molar mass
- 207.3 g/mol
- Monoisotopic mass
- 207.038771
Names & identifiers
- Preferred name
- 2-Amino-4-(1,3-dithiolan-2-yl)butanoic acid
- IUPAC
- 2-amino-4-(1,3-dithiolan-2-yl)butanoic acid
Names & synonyms
20622-37-12-amino-4-(1,3-dithiolan-2-yl)butanoic acidNSC108032DTXSID70296155NSC-108032
Database identifiers
- CAS
20622-37-1- PubChem CID
- 268017
- DTXSID
DTXSID70296155
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
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Compound notes
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