Basic information
- CAS
329939-07-3- Standard SMILES
COc1ccc(NC(=O)c2cccs2)c(OC)c1- InChIKey
UHNUTKSGBGCROH-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161445
Names & identifiers
- Preferred name
- N-(2,4-Dimethoxyphenyl)-2-thiophenecarboxamide
- IUPAC
- N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
- English name
- N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
- Molecular formula
- C13H13NO3S
- Molecular weight
- 263.31
Names & synonyms
N-(2,4-dimethoxyphenyl)-2-thiophenecarboxamide329939-07-3RefChem:360143N-(2,4-dimethoxyphenyl)thiophene-2-carboxamideOprea1_736340Oprea1_871855SCHEMBL21880936DTXSID301249824STK045609AKOS000602293ST010687N-(2,4-dimethoxyphenyl)-2-thienylcarboxamide
Show more names
2-Thiophenecarboxamide, N-(2,4-dimethoxyphenyl)-
AN-652/40118252SR-01000477944SR-01000477944-1Z26714665
Database identifiers
- CAS
329939-07-3- PubChem CID
- 710671
- DTXSID
DTXSID301249824- EC Number
- 169-452-5
- Nikkaji
- J3.738.055E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 334.8 · 334.8±37.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 11.43 · 11.43±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…