-
Name
4-AMINO-2-METHYLTHIO-5-THIAZOLECARBOXYLIC ACID METHYL ESTER
- EINECS
- CAS No. 60093-05-2
- Article Data2
- CAS DataBase
- Density 1.43 g/cm3
- Solubility
- Melting Point 103.5 °C
- Formula C6H8N2O2S2
- Boiling Point 359.5 °C at 760 mmHg
- Molecular Weight 204.274
- Flash Point 171.2 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
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Molecular Structure
- Hazard Symbols
- 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;
- PSA 118.75000
- LogP 1.81500
5-Thiazolecarboxylicacid, 4-amino-2-(methylthio)-, methyl ester Specification
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
Related Products
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- 5-Thiazolecarboxylicacid, 2-bromo-4-(trifluoromethyl)-, ethyl ester
- 5-Thiazolecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, ethyl ester
- 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-
- 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-, ethyl ester
- 5-Thiazolecarboxylicacid, 2-phenyl-
- 5-Thiazolecarboxylicacid, 4-amino-2-(methylthio)-, methyl ester
- 5-Thiazolecarboxylicacid, 4-chloro-
- 5-Thiazolecarboxylicacid, 4-methyl-2-(4-pyridinyl)-
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