Ethyl 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
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Basic information
- CAS
15854-10-1- Standard SMILES
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1N- InChIKey
XBGBEIKHJJZZLM-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
- IUPAC
- ethyl 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
- English name
- 2-AMINO-4-(2,4-DIMETHYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C15H17NO2S
- Molecular weight
- 275.37
Names & synonyms
ethyl 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylate15854-10-1MFCD019230202-Amino-4-(2,4-dimethyl-phenyl)-thiophene-3-carboxylic acid ethyl esterOprea1_659649DTXSID10352749ethyl2-amino-4-(2,4-dimethylphenyl)thiophene-3-carboxylateALBB-001705BBL013645SBB016233STK397362AKOS000273274
Show more names
2-amino-4-(2,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester3-Thiophenecarboxylic acid, 2-amino-4-(2,4-dimethylphenyl)-, ethyl ester
SY131921VS-03906CS-0447461EN300-06360G37746AH-262/31955010Z56943795ethyl 2-amino-4-(2,4-dimethylphenyl)-3-thiophenecarboxylate
Database identifiers
- CAS
15854-10-1- PubChem CID
- 735236
- DTXSID
DTXSID10352749
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
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 397.8 · 397.8±42.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- form
- solid
- pka
- -0.04 · -0.04±0.14(Predicted)
- InChI
- 1S/C15H17NO2S/c1-4-18-15(17)13-12(8-19-14(13)16)11-6-5-9(2)7-10(11)3/h5-8H,4,16H2,1-3H3
- InChIKey
- XBGBEIKHJJZZLM-UHFFFAOYSA-N
- SMILES
- O=C(OCC)C1=C(N)SC=C1C(C(C)=C2)=CC=C2C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Hazard statements
- 413 · H413
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 · Aquatic Chronic 4
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413
- Hazard Classifications
- Aquatic Chronic 4
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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