Methyl 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
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Basic information
- CAS
351156-17-7- Standard SMILES
COC(=O)c1c(N)sc(C)c1-c1ccc(C)cc1C- InChIKey
NDCGBVVXODSNRB-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- Methyl 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
- IUPAC
- methyl 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
- English name
- 2-AMINO-4-(2,4-DIMETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C15H17NO2S
- Molecular weight
- 275.37
Names & synonyms
methyl 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carboxylate351156-17-7DTXSID80358016RefChem:354028DTXCID70309072MFCD019234652-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carboxylic acid methyl estermethyl 2-amino-4-(2,4-dimethylphenyl)-5-methyl-thiophene-3-carboxylateCBMicro_049602ALBB-001773BBL016159SBB019638
Show more names
ST5160359AKOS B000883ZINC00442786AKOS BBS-00001992ART-CHEM-BB B000883CHEMBRDG-BB 3000883Methyl 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbox
STK348744AKOS000267672SY079785VS-05180BIM-0049742.P001DB-029154CS-0280256EN300-227720
Database identifiers
- CAS
351156-17-7- PubChem CID
- 874702
- DTXSID
DTXSID80358016
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 382.9 · 382.9±42.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 0.27 · 0.27±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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