Basic information
- CAS
337920-92-0- Standard SMILES
COC(=O)c1c(C(=O)OC)c(-c2cccc(F)c2)n2c1CS(=O)(=O)C2- InChIKey
YSKIRIPFRQOROD-UHFFFAOYSA-N- Molecular formula
- C16H14FNO6S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.0525865
Names & identifiers
- Preferred name
- dimethyl 5-(3-fluorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
- IUPAC
- dimethyl 5-(3-fluorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
- English name
- DIMETHYL 5-(3-FLUOROPHENYL)-2,2-DIOXO-2,3-DIHYDRO-1H-2LAMBDA6-PYRROLO[1,2-C][1,3]THIAZOLE-6,7-DICARBOXYLATE
- Molecular formula
- C16H14FNO6S
- Molecular weight
- 367.35
Names & synonyms
337920-92-0dimethyl 5-(3-fluorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylateMFCD00243378Dimethyl 5-(3-fluorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2,2-dioxidedimethyl 5-(3-fluorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate6,7-dimethyl 5-(3-fluorophenyl)-2,2-dioxo-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylateOprea1_099601MLS001166319C16H14FNO6SCHEMBL1451140HMS2878H14AKOS005074891
Show more names
Dimethyl 5-(3-fluorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-61H,3H-Pyrrolo[1,2-c]thiazole-6,7-dicarboxylic acid, 5-(3-fluorophenyl)-, 6,7-dimethyl ester, 2,2-dioxideDIMETHYL 5-(3-FLUOROPHENYL)-2,2-DIOXO-2,3-DIHYDRO-1H-2LAMBDA6-PYRROLO[1,2-C][1,3]THIAZOLE-6,7-DICARBOXYLATE
10J-514SSMR000549654dimethyl 5-(3-fluorophenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c]thiazole-6,7-dicarboxylate6,7-dimethyl5-(3-fluorophenyl)-2,2-dioxo-1H,3H-2lambda6-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 625.9 · 625.9±55.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -14.49 · -14.49±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
BIONET-INTER[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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