4-Isothiazolecarboxylicacid, 5-amino-3-methyl-, ethyl ester supplier

Name
ETHYL 5-AMINO-3-METHYLISOTHIAZOLE-4-CARBOXYLATE
EINECS
CAS No. 34859-65-9
Density 1.283 g/cm³
Solubility
Melting Point 111 °C
Formula C₇H₁₀N₂O₂S
Boiling Point 221.2 °C at 760 mmHg
Molecular Weight 186.235
Flash Point 87.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Amino-4-ethoxycarbonyl-3-methylisothiazole;Ethyl 5-amino-3-methyl-4-isothiazolecarboxylate;
PSA 93.45000
LogP 1.79160

4-Isothiazolecarboxylicacid, 5-amino-3-methyl-, ethyl ester Specification

This chemical is called 4-Isothiazolecarboxylicacid, 5-amino-3-methyl-, ethyl ester, and its systematic name is ethyl 5-amino-3-methylisothiazole-4-carboxylate. With the molecular formula of C₇H₁₀N₂O₂S, its molecular weight is 186.23. The CAS registry number of this chemical is 34859-65-9.

Other characteristics of the 4-Isothiazolecarboxylicacid, 5-amino-3-methyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 70.67 Å²; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 48.19 cm³; (9)Molar Volume: 145 cm³; (10)Polarizability: 19.1×10^-24cm³; (11)Surface Tension: 53.6 dyne/cm; (12)Density: 1.283 g/cm³; (13)Flash Point: 87.6 °C; (14)Enthalpy of Vaporization: 45.77 kJ/mol; (15)Boiling Point: 221.2 °C at 760 mmHg; (16)Vapour Pressure: 0.108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1c(snc1C)N
2.InChI: InChI=1/C7H10N2O2S/c1-3-11-7(10)5-4(2)9-12-6(5)8/h3,8H2,1-2H3
3.InChIKey: ZDGBWOZFPKNORL-UHFFFAOYAM

Product Name

ETHYL 5-AMINO-3-METHYLISOTHIAZOLE-4-CARBOXYLATE

4-Isothiazolecarboxylicacid, 5-amino-3-methyl-, ethyl ester Specification

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