Basic information
- CAS
5691-70-3- Standard SMILES
COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCC2- InChIKey
NJZFWEJSJBFIPJ-UHFFFAOYSA-N- Molecular formula
- C17H17NO4S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.0878292
Names & identifiers
- Preferred name
- Methyl 2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- 2-HYDROXY-5-METHOXY-[1,4]BENZOQUINONE
- Molecular formula
- C7H6O4
- Molecular weight
- 154.12
Names & synonyms
methyl 2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylateCBMicro_030798Oprea1_514244DTXSID70972346STK401682AKOS001626638methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateBIM-0030998.P001ST50187900SR-01000430624SR-01000430624-1ME 2-((4-MEO-BENZOYL)AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-3-CARBOXYLATE
Show more names
hydroxy-2 methoxy-5 benzoquinone-1,42-HYDROXY-5-METHOXY-[1,4]BENZOQUINONE2-Hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-
Methyl 2-(4-methoxybenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-[(4-methoxyphenyl)carbonylamino]-4,5,6-trihydrocyclopenta[2,1-b]thiop hene-3-carboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 179 °C · 179 °C (decomp)
- Boiling point
- 313 · 313.0±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 2.7 · 2.70±0.30(Predicted)
Chemistry & industry
Suppliers2 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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