Basic information
- CAS
350990-02-2- Standard SMILES
CCCc1ccc(-c2c(C)sc(N)c2C(=O)OC)cc1- InChIKey
YLXCOGDDJJFWNP-UHFFFAOYSA-N- Molecular formula
- C16H19NO2S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.11365002
Names & identifiers
- Preferred name
- Methyl 2-amino-5-methyl-4-(4-propylphenyl)-3-thiophenecarboxylate
- IUPAC
- methyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate
- English name
- 2-Amino-5-methyl-4-(4-propyl-phenyl)-thiophene-3-carboxylic acid methyl ester
- Molecular formula
- C16H19NO2S
- Molecular weight
- 289.39
Names & synonyms
350990-02-2methyl 2-amino-5-methyl-4-(4-propylphenyl)-3-thiophenecarboxylateRefChem:354066methyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylatemethyl 2-amino-5-methyl-4-(4-propylphenyl)-thiophene-3-carboxylateMFCD01922132Oprea1_073723DTXSID701167692ALBB-001764BBL016336STK400504AKOS003268024
Show more names
IVK/9054749ZINC004427322-amino-5-methyl-4-(4-propylphenyl)-3-thiophenecarboxylic acid methyl ester3-Thiophenecarboxylic acid, 2-amino-5-methyl-4-(4-propylphenyl)-, methyl ester
2-Amino-5-methyl-4-(4-propyl-phenyl)-thiophene-3-carboxylic acid methyl esterVS-05277H21682AK-968/13779352SR-01000228591SR-01000228591-1methyl2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylic acid methyl ester
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 409 · 409.0±45.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 0.25 · 0.25±0.14(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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