Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate supplier

Name
tert-butyl (4-(ethoxycarbonyl)thiazol-2-yl)methylcarbamate
EINECS
CAS No. 96929-05-4
Article Data1
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point 100-102 °C
Formula C₁₂H₁₈N₂O₄S
Boiling Point 401.377 °C at 760 mmHg
Molecular Weight 286.352
Flash Point 196.546 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate;ethyl 2-{[(tert-butoxycarbonyl)amino]methyl}-1,3-thiazole-4-carboxylate;
PSA 105.76000
LogP 2.73540

Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate Specification

The Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate with the CAS number 96929-05-4 is also called tert-butyl (4-(ethoxycarbonyl)thiazol-2-yl)methylcarbamate. The systematic name is ethyl 2-{[(tert-butoxycarbonyl)amino]methyl}-1,3-thiazole-4-carboxylate. Its molecular formula is C₁₂H₁₈N₂O₄S. The product category is Chiral Chemicals.

The properties of the Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 658; (8)ACD/KOC (pH 7.4): 658; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 105.76Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 72.551 cm³; (15)Molar Volume: 237.727 cm³; (16)Polarizability: 28.761×10^-24cm³; (17)Surface Tension: 44.134 dyne/cm; (18)Enthalpy of Vaporization: 65.238 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCc1nc(cs1)C(=O)OCC
(2)InChI: InChI=1/C12H18N2O4S/c1-5-17-10(15)8-7-19-9(14-8)6-13-11(16)18-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
(3)InChIKey: IIBLNWWFRAOZDR-UHFFFAOYAR

Product Name

tert-butyl (4-(ethoxycarbonyl)thiazol-2-yl)methylcarbamate

Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate Specification

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