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CAS No.: | 60093-05-2 |
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Name: | 4-AMINO-2-METHYLTHIO-5-THIAZOLECARBOXYLIC ACID METHYL ESTER |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H8N2O2S2 |
Molecular Weight: | 204.274 |
Synonyms: | 4-Amino-2-(methylsulfanyl)thiazole-5-carboxylicacid methyl ester;4-Amino-2-(methylthio)-1,3-thiazole-5-carboxylic acid methylester;4-Amino-2-(methylthio)thiazole-5-carboxylic acid methyl ester;4-Amino-5-methoxycarbonyl-2-methylmercaptothiazole;Methyl4-amino-2-(methylsulfanyl)-thiazole-5-carboxylate;Methyl4-amino-2-(methylthio)-1,3-thiazole-5-carboxylate;Thiazole-5-carboxylic acid, 4-amino-2-methylthio-, methyl ester;methyl ester; |
Density: | 1.43 g/cm3 |
Melting Point: | 103.5 °C |
Boiling Point: | 359.5 °C at 760 mmHg |
Flash Point: | 171.2 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 118.75000 |
LogP: | 1.81500 |
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The 5-Thiazolecarboxylicacid, 4-amino-2-(methylthio)-, methyl ester, with the CAS registry number 60093-05-2, is also known as Thiazole-5-carboxylic acid, 4-amino-2-methylthio-, methyl ester. It belongs to the product category of Aminoacid. This chemical's molecular formula is C6H8N2O2S2 and molecular weight is 204.27. What's more, its IUPAC name is Methyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate.
Physical properties of 5-Thiazolecarboxylicacid, 4-amino-2-(methylthio)-, methyl ester are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.69; (6)ACD/BCF (pH 7.4): 9.8; (7)ACD/KOC (pH 5.5): 176.3; (8)ACD/KOC (pH 7.4): 178.29; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 95.97 Å2; (13)Index of Refraction: 1.619 ; (14)Molar Refractivity: 50.06 cm3; (15)Molar Volume: 142.6 cm3; (16)Polarizability: 19.84×10-24cm3; (17)Surface Tension: 67 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 171.2 °C; (20)Enthalpy of Vaporization: 60.51 kJ/mol; (21)Boiling Point: 359.5 °C at 760 mmHg; (22)Vapour Pressure: 2.36E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1sc(SC)nc1N
(2)Std. InChI: InChI=1S/C6H8N2O2S2/c1-10-5(9)3-4(7)8-6(11-2)12-3/h7H2,1-2H3
(3)Std. InChIKey: GVNAJKLESILZHU-UHFFFAOYSA-N