Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
Basic information
- CAS
175202-61-6- Standard SMILES
COC(=O)c1cc(C(N)=O)c(SC)s1- InChIKey
HDWLYMDKTFLLHN-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.0023855
Names & identifiers
- Preferred name
- Methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
- IUPAC
- methyl 4-carbamoyl-5-methylsulfanylthiophene-2-carboxylate
- English name
- methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
- Molecular formula
- C8H9NO3S2
- Molecular weight
- 231.29
Names & synonyms
175202-61-6methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate2-Thiophenecarboxylic acid, 4-(aminocarbonyl)-5-(methylthio)-, methyl estermethyl 4-carbamoyl-5-methylsulfanylthiophene-2-carboxylateMaybridge3_003614DTXSID20384854HMS1441E06CCG-41508METHYL 4-CARBAMOYL-5-(METHYLSULFANYL)THIOPHENE-2-CARBOXYLATEIDI1_015001SR-01000631579-1
Database identifiers
- CAS
175202-61-6- PubChem CID
- 2820180
- DTXSID
DTXSID20384854
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 372.1 · 372.1±42.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.50(Predicted)
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Related reactions
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Compound notes
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