Basic information
- CAS
271778-23-5- Standard SMILES
COC(=O)c1ccsc1NC(=O)c1cccs1- InChIKey
XKRUHGJVMLXFNL-UHFFFAOYSA-N- Molecular formula
- C11H9NO3S2
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.0023855
Names & identifiers
- Preferred name
- Methyl 2-[(2-thienylcarbonyl)amino]thiophene-3-carboxylate
- IUPAC
- methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
- English name
- Methyl 2-[(2-thienylcarbonyl)amino]thiophene-3-carboxylate
- Molecular formula
- C11H9NO3S2
- Molecular weight
- 267.32
Names & synonyms
271778-23-5methyl 2-[(2-thienylcarbonyl)amino]thiophene-3-carboxylatemethyl 2-(thiophene-2-carboxamido)thiophene-3-carboxylatemethyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate3-Thiophenecarboxylicacid, 2-[(2-thienylcarbonyl)amino]-, methyl esterOprea1_531572SCHEMBL7398166DTXSID70384581HMS1662F21AKOS024605272CCG-242147AB00674042-01
Show more names
3-Thiophenecarboxylic acid, 2-[(2-thienylcarbonyl)amino]-, methyl ester
F1358-0018Methyl 2-[(thiophene-2-carbonyl)amino]thiophene-3-carboxylate
Database identifiers
- CAS
271778-23-5- PubChem CID
- 2808577
- DTXSID
DTXSID70384581
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 184 °C · 184 °C
- Boiling point
- 333.5 · 333.5±32.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- pka
- 12.48 · 12.48±0.70(Predicted)
Chemistry & industry
Suppliers7 total
常州奈诺化工科技有限公司[email protected]
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
MAYBR-INT—
深圳爱拓化学有限公司0755- 33239182 · [email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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