Ethyl 2-amino-4,5-dimethyl3-thenoate

C₉H₁₃NO₂SCAS 4815-24-1199.27 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₃NO₂S
Molar mass: 199.27 g/mol
Exact mass: 199.0667 Da
Melting point: 91–92 °C
logP: 2.12Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4815-24-1

SMILES

CCOC(=O)c1c(N)sc(C)c1C

InChIKey

JYSDXODDWAQWJR-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
3-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester
2-Amino-3-carbethoxy-4,5-dimethylthiophene
2-Amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
NSC 86908
2-Amino-3-(ethoxycarbonyl)-4,5-dimethylthiophene

Work with Ethyl 2-amino-4,5-dimethyl3-thenoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-974 % similar 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester4651-93-866 % similar Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate4815-37-662 % similar Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-255 % similar Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate4506-71-255 % similar Ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate4815-29-655 % similar Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate174072-89-053 % similar Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Ethyl-o-toluenesulfonamide1077-56-1 tert-Butyl N-(thiophen-2-yl)carbamate56267-50-6 2-(Propane-2-sulfonyl)aniline76697-50-2 N-Ethyl-4-methylbenzenesulfonamide80-39-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook