Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate
Basic information
- CAS
350989-99-0- Standard SMILES
CCOC(=O)c1c(-c2ccc(CC)cc2)csc1N- InChIKey
SAGLQZFBTTXHFJ-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate
- IUPAC
- ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate
- English name
- AKOS B000801
- Molecular formula
- C15H17NO2S
- Molecular weight
- 275.37
Names & synonyms
ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate350989-99-0MFCD01922030BAS 05167766AKOS B000801Oprea1_419300SCHEMBL1554182DTXSID80352377SAGLQZFBTTXHFJ-UHFFFAOYSA-NALBB-0017112-amino-4-(4-ethylphenyl)-thiophene-3-carboxylic acid ethyl esterBBL016151
Show more names
AURORA 21017CHEMBRDG-BB 3000801TIMTEC-BB SBB0059582-amino-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester2-amino-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester2-Amino-4-(4-ethyl-phenyl)-thiophene-3-carboxylic acid ethyl ester3-Thiophenecarboxylic acid, 2-amino-4-(4-ethylphenyl)-, ethyl esterethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate(SALTDATA: FREE)
SBB005958STK348735AKOS000304247ST057607VS-05172CS-0451539EN300-227715G37738
Database identifiers
- CAS
350989-99-0- PubChem CID
- 724947
- DTXSID
DTXSID80352377
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- form
- solid
- InChI
- 1S/C15H17NO2S/c1-3-10-5-7-11(8-6-10)12-9-19-14(16)13(12)15(17)18-4-2/h5-9H,3-4,16H2,1-2H3
- InChIKey
- SAGLQZFBTTXHFJ-UHFFFAOYSA-N
- SMILES
- O=C(OCC)C1=C(N)SC=C1C(C=C2)=CC=C2CC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Hazard statements
- 413 · H413
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413
- Hazard Classifications
- Aquatic Chronic 4
Related reactions
3 records
Compound notes
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