4,5-Dimethoxy-2-[(thiophene-2-carbonyl)-amino]-benzoic acid
Basic information
- CAS
332163-01-6- Standard SMILES
COc1cc(NC(=O)c2cccs2)c(C(=O)O)cc1OC- InChIKey
WKPFHYKDLARNCJ-UHFFFAOYSA-N- Molecular formula
- C14H13NO5S
- Average molar mass
- 307.32 g/mol
- Monoisotopic mass
- 307.05144369
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-2-[(thiophene-2-carbonyl)-amino]-benzoic acid
- IUPAC
- 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoic acid
- English name
- 4,5-Dimethoxy-2-[(thiophene-2-carbonyl)-amino]-benzoic acid
- Molecular formula
- C14H13NO5S
- Molecular weight
- 307.32
Names & synonyms
332163-01-64,5-Dimethoxy-2-[(thiophene-2-carbonyl)-amino]-benzoic acid4,5-Dimethoxy-2-(thiophene-2-carboxamido)benzoic acid4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoic acid4,5-dimethoxy-2-(2-thienylcarbonylamino)benzoic acid4,5-dimethoxy-2-(thiophene-2-amido)benzoic acidMaybridge1_003825Oprea1_290727Oprea1_541051SCHEMBL1308513HMS552F19Benzoicacid, 4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]-
Show more names
Benzoic acid, 4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]-
DTXSID20384591HNA16301SBB085283STK223839AKOS000121899ST50007911EN300-00117G28448
Database identifiers
- CAS
332163-01-6- PubChem CID
- 2808979
- DTXSID
DTXSID20384591
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 395.2 · 395.2±42.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.36(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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