Basic information
- CAS
438532-84-4- Standard SMILES
CCCOC(=O)c1c(N)sc(C(N)=O)c1C- InChIKey
IOHDSTJMBNLWNP-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3S
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.07251349
Names & identifiers
- Preferred name
- Propyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
- IUPAC
- propyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
- English name
- 2-AMINO-5-CARBAMOYL-4-METHYL-THIOPHENE-3-CARBOXYLIC ACID PROPYL ESTER
- Molecular formula
- C10H14N2O3S
- Molecular weight
- 242.29
Names & synonyms
438532-84-4propyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylatepropyl 2-amino-5-(aminocarbonyl)-4-methylthiophene-3-carboxylateMFCD02056553IOHDSTJMBNLWNP-UHFFFAOYSA-N2-Amino-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid propyl esterOprea1_176634ALBB-001566BBL016118SBB019579STK348693AKOS000304047
Show more names
AKOS B000497ZINC02388771ART-CHEM-BB B0004972-amino-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester3-Thiophenecarboxylic acid, 2-amino-5-(aminocarbonyl)-4-methyl-, propyl ester
VS-05149CS-0298014EN300-227687H21548AK-968/41018742propyl2-amino-5-carbamoyl-4-methylthiophene-3-carboxylatepropyl 2-amino-5-carbamoyl-4-methyl-thiophene-3-carboxylatePropyl 2-amino-5-(aminocarbonyl)-4-methyl-3-thiophenecarboxylate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 337.9 · 337.9±42.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- 16.1 · 16.10±0.50(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
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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