2,3,4,5-Tetrahydrothieno[3,4-b][1,4]dioxocine
Basic information
- CAS
202927-41-1- Standard SMILES
c1scc2c1OCCCCO2- InChIKey
NGDQARFGFFQENN-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrahydrothieno[3,4-b][1,4]dioxocine
- IUPAC
- 2,3,4,5-tetrahydrothieno[3,4-b][1,4]dioxocine
Names & synonyms
2,3,4,5-Tetrahydrothieno[3,4-b][1,4]dioxocine202927-41-1Thieno[3,4-b][1,4]dioxocin, 2,3,4,5-tetrahydro-SCHEMBL3396627DTXSID10738701AKOS030239691SY566554202927-42-2
Database identifiers
- CAS
202927-41-1- PubChem CID
- 68626850
- DTXSID
DTXSID10738701- Nikkaji
- J952.294H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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