Basic information
- CAS
477587-18-1- Standard SMILES
COC(=O)c1scc2c1OCCO2- InChIKey
DEZUSZMWEWAYSI-UHFFFAOYSA-N- Molecular formula
- C8H8O4S
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.01432991
Names & identifiers
- Preferred name
- Methyl 2,3-dihydrothieno(3,4-b)-1,4-dioxin-5-carboxylate
- IUPAC
- methyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylate
Names & synonyms
477587-18-1Methyl 2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-carboxylateMethyl 2,3-dihydrothieno(3,4-b)-1,4-dioxin-5-carboxylateRefChem:353623methyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylateSCHEMBL23529716DEZUSZMWEWAYSI-UHFFFAOYSA-NDTXSID501202125STK679319AKOS005595540ST4075101EU-0086670
Show more names
ST45385729methyl 2H,3H-thiopheno[3,4-e]1,4-dioxane-5-carboxylateMETHYL 2H,3H-THIENO[3,4-B][1,4]DIOXINE-5-CARBOXYLATE2,3-Dihydro-thieno[3,4-b][1,4]dioxine-5-carboxylic acid, methyl esterThieno[3,4-b]-1,4-dioxin-5-carboxylic acid, 2,3-dihydro-, methyl ester
Database identifiers
- CAS
477587-18-1- PubChem CID
- 778201
- DTXSID
DTXSID501202125
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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