2-(Diacetylamino)-3-sulfanylpropanoic acid
Basic information
- CAS
5416-02-4- Standard SMILES
CC(=O)N(C(C)=O)C(CS)C(=O)O- InChIKey
BSWPGDZSMHQEBE-UHFFFAOYSA-N- Molecular formula
- C7H11NO4S
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.04087901
Names & identifiers
- Preferred name
- 2-(Diacetylamino)-3-sulfanylpropanoic acid
- IUPAC
- 2-(diacetylamino)-3-sulfanylpropanoic acid
Names & synonyms
5416-02-4diacetylcysteine2-(diacetylamino)-3-sulfanylpropanoic acidNSC11330SCHEMBL1054855DTXSID90279127NSC-11330
Database identifiers
- CAS
5416-02-4- PubChem CID
- 223583
- DTXSID
DTXSID90279127
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
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Compound notes
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