6H-p-Dithiino(2,3-c)pyrrole-5,7-dione, 2,3,5,7-tetrahydro-6-methyl-
Basic information
- CAS
34419-05-1- Standard SMILES
CN1C(=O)C2=C(SCCS2)C1=O- InChIKey
INNXFNOPKIFUDJ-UHFFFAOYSA-N- Molecular formula
- C7H7NO2S2
- Average molar mass
- 201.3 g/mol
- Monoisotopic mass
- 200.99182081
Names & identifiers
- Preferred name
- 6H-p-Dithiino(2,3-c)pyrrole-5,7-dione, 2,3,5,7-tetrahydro-6-methyl-
- IUPAC
- 6-methyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
- English name
- N-Methyl-3,6-dithia-3,4,5,6-tetrahydrophthalimide
- Molecular formula
- C7H7NO2S2
- Molecular weight
- 201.27
Names & synonyms
34419-05-1BRN 10754056H-p-DITHIINO(2,3-c)PYRROLE-5,7-DIONE, 2,3,5,7-TETRAHYDRO-6-METHYL-N-Methyl-3,6-dithia-3,4,5,6-tetrahydrophthalimide5,6-Dihydro-N-methyl-p-dithiin-2,3-dicarboximidep-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-methyl-DTXSID101879925H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-methyl-6-Methyl-2,3,5,7-tetrahydro-6H-p-dithiino(2,3-c)pyrrole-5,7-dione5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-6-methyl-RefChem:309685DTXCID70110483
Show more names
HDF7XMQ32USCHEMBL35005882,3-Dihydro-6-methyl-5H-1,4-dithiino[2,3-c]pyrrole-5,7(6H)-dione6-methyl-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione
Database identifiers
- CAS
34419-05-1- PubChem CID
- 36823
- DTXSID
DTXSID10187992- UNII
- HDF7XMQ32U
- Nikkaji
- J87.585F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 203.5 °C · 203.5°C (rough estimate)
- Density
- 1.4484 · 1.4484 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
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Related reactions
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Compound notes
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