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