4-Thiazolecarboxylicacid, 2-amino-5-(1-methylethyl)-, methyl ester supplier

Name
METHYL 2-AMINO-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXYLATE
EINECS
CAS No. 81569-25-7
Article Data10
CAS DataBase
Density 1.233 g/cm³
Solubility
Melting Point 150-152°C
Formula C₈H₁₂N₂O₂S
Boiling Point 337.1 °C at 760 mmHg
Molecular Weight 200.261
Flash Point 157.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl2-amino-5-(1-methylethyl)thiazole-4-carboxylate;Methyl2-amino-5-isopropyl-1,3-thiazole-4-carboxylate;Methyl2-amino-5-isopropylthiazole-4-carboxylate;methyl 2-amino-5-(propan-2-yl)-1,3-thiazole-4-carboxylat;methyl 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate;4-Thiazolecarboxylic acid, 2-amino-5-(1-methylethyl)-, methyl ester;
PSA 93.45000
LogP 2.21650

4-Thiazolecarboxylicacid, 2-amino-5-(1-methylethyl)-, methyl ester Specification

The 4-Thiazolecarboxylicacid, 2-amino-5-(1-methylethyl)-, methyl ester, with the CAS registry number 81569-25-7, has the systematic name of methyl 2-amino-5-(propan-2-yl)-1,3-thiazole-4-carboxylate. It belongs to the product categories of Amino acid. And the molecular formula of the chemical is C₈H₁₂N₂O₂S.

The characteristics of 4-Thiazolecarboxylicacid, 2-amino-5-(1-methylethyl)-, methyl ester are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.41; (6)ACD/BCF (pH 7.4): 11.46; (7)ACD/KOC (pH 5.5): 198.56; (8)ACD/KOC (pH 7.4): 199.46; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.67 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 52.92 cm³; (15)Molar Volume: 162.3 cm³; (16)Polarizability: 20.98×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.233 g/cm³; (19)Flash Point: 157.7 °CEnthalpy of Vaporization: 58.04 kJ/mol; (20)Boiling Point: 337.1 °C at 760 mmHgVapour Pressure: 0.000107 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1nc(sc1C(C)C)N
(2)InChI: InChI=1/C8H12N2O2S/c1-4(2)6-5(7(11)12-3)10-8(9)13-6/h4H,1-3H3,(H2,9,10)
(3)InChIKey: YEJDFNBFDCUMAG-UHFFFAOYAI

Product Name

METHYL 2-AMINO-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXYLATE

4-Thiazolecarboxylicacid, 2-amino-5-(1-methylethyl)-, methyl ester Specification

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