Thieno[2,3-b]-1,4-dithiin, 3-methyl-
Basic information
- CAS
88999-10-4- Standard SMILES
CC1=CSc2ccsc2S1- InChIKey
WVBRTKWUAGRXNI-UHFFFAOYSA-N- Molecular formula
- C7H6S3
- Average molar mass
- 186.3 g/mol
- Monoisotopic mass
- 185.96316371
Names & identifiers
- Preferred name
- Thieno[2,3-b]-1,4-dithiin, 3-methyl-
- IUPAC
- 3-methylthieno[2,3-b][1,4]dithiine
Names & synonyms
Thieno[2,3-b]-1,4-dithiin, 3-methyl-88999-10-4DTXSID20345389Thieno(2,3-b)-1,4-dithiin, 3-methyl-RefChem:384903DTXCID60296462WVBRTKWUAGRXNI-UHFFFAOYSA-N3-Methylthieno[2,3-b][1,4]dithiine3-Methylthieno[2,3-b][1,4]dithiine #
Database identifiers
- CAS
88999-10-4- PubChem CID
- 604108
- DTXSID
DTXSID20345389
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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