5-Methyl-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrole-4,6-dione
Basic information
- CAS
98547-45-6- Standard SMILES
CN1C(=O)C2CSCC2C1=O- InChIKey
HIFXOPUCUIHEBG-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.0353997
Names & identifiers
- Preferred name
- 5-Methyl-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrole-4,6-dione
- IUPAC
- 5-methyl-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrole-4,6-dione
Names & synonyms
98547-45-6DTXSID0011949215-Methyldihydro-1H-thieno[3,4-c]pyrrole-4,6(3H,5H)-dioneDihydro-5-methyl-1H-thieno[3,4-c]pyrrole-4,6(3H,5H)-dione
Database identifiers
- CAS
98547-45-6- PubChem CID
- 13624319
- DTXSID
DTXSID001194921- Nikkaji
- J637.118C
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 206
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Compound notes
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