Basic information
- CAS
77084-33-4- Standard SMILES
COC(=O)c1cccc2sc3ccccc3c(=O)c12- InChIKey
MLCOFATYVJHBED-UHFFFAOYSA-N- Molecular formula
- C15H10O3S
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.03506535
Names & identifiers
- Preferred name
- Methyl 9-oxo-9H-thioxanthene-1-carboxylate
- IUPAC
- methyl 9-oxothioxanthene-1-carboxylate
- English name
- methyl 9-oxo-9H-thioxanthene-1-carboxylate
- Molecular formula
- C15H10O3S
- Molecular weight
- 270.3
Names & synonyms
Methyl 9-oxo-9H-thioxanthene-1-carboxylate77084-33-4EINECS 278-605-6DTXSID40998351RefChem:157765DTXCID101425341278-605-6SCHEMBL52314SCHEMBL29494120MLCOFATYVJHBED-UHFFFAOYSA-NNS000596439-Oxo-9H-thioxanthene-1-carboxylic acid methyl ester
Show more names
9H-Thioxanthene-1-carboxylic acid, 9-oxo-, methyl ester
Database identifiers
- CAS
77084-33-4- PubChem CID
- 3018693
- DTXSID
DTXSID40998351- EC Number
- 278-605-6
- Nikkaji
- J309.349B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 458.5 · 458.5±44.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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