(S)-4-Thioxohexahydropyrrolo[1,2-a]pyrazin-1(2H)-one
Basic information
- CAS
167391-75-5- Standard SMILES
O=C1NCC(=S)N2CCC[C@@H]12- InChIKey
XMGCCBQWHDYHEH-YFKPBYRVSA-N- Molecular formula
- C7H10N2OS
- Average molar mass
- 170.23 g/mol
Names & identifiers
- Preferred name
- (S)-4-Thioxohexahydropyrrolo[1,2-a]pyrazin-1(2H)-one
- IUPAC
- (8aS)-4-sulfanylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
- English name
- Pyrrolo[1,2-a]pyrazin-1(2H)-one, hexahydro-4-thioxo-, (S)- (9CI)
- Molecular formula
- C7H10N2OS
- Molecular weight
- 170.23
Names & synonyms
167391-75-5(S)-4-Thioxohexahydropyrrolo[1,2-a]pyrazin-1(2H)-onePyrrolo[1,2-a]pyrazin-1(2H)-one, hexahydro-4-thioxo-, (S)- (9CI)
Database identifiers
- CAS
167391-75-5
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
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Compound notes
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