Basic information
- CAS
149587-33-7- Standard SMILES
Cc1csc2[nH]c(=O)c(=O)[nH]c12- InChIKey
PMWJZDLFWVIZEV-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2S
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 182.01499861
Names & identifiers
- Preferred name
- 7-Methyl-1,4-dihydrothieno[2,3-B]pyrazine-2,3-dione
- IUPAC
- 7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
- English name
- Thieno[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-7-methyl- (9CI)
- Molecular formula
- C7H6N2O2S
- Molecular weight
- 182.2
Names & synonyms
149587-33-77-Methylthieno[2,3-b]pyrazine-2,3(1H,4H)-dione7-METHYL-1,4-DIHYDROTHIENO[2,3-B]PYRAZINE-2,3-DIONEThieno[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-7-methyl- (9CI)SCHEMBL9097457DTXSID20598075Thieno[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-7-methyl-
Database identifiers
- CAS
149587-33-7- PubChem CID
- 19100712
- DTXSID
DTXSID20598075
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- pka
- 10.3 · 10.30±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
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