S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate
Basic information
- CAS
19552-97-7- Standard SMILES
CC(=O)SC1C(=O)N(C)C(SC(C)=O)C(=O)N1C- InChIKey
ZHCFJFXVWQEUHL-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4S2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.03949928
Names & identifiers
- Preferred name
- S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate
- IUPAC
- S-(5-acetylsulfanyl-1,4-dimethyl-3,6-dioxopiperazin-2-yl) ethanethioate
Names & synonyms
19552-97-7NSC278321SCHEMBL14986939DTXSID40313904NSC-278321S,S'-(1,4-Dimethyl-3,6-dioxopiperazine-2,5-diyl) diethanethioate
Database identifiers
- CAS
19552-97-7- PubChem CID
- 322189
- DTXSID
DTXSID40313904
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
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Compound notes
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