(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester supplier

Name
(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester
EINECS
CAS No. 494769-34-5
Article Data12
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂O₃S
Boiling Point
Molecular Weight 228.27
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (4-formyl-2-thiazolyl)-, 1,1-dimethylethyl ester (9CI);2-[(tert-Butoxycarbonyl)amino]-thiazole-4-carboxaldehyde;N-(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester;(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester;
PSA 96.53000
LogP 2.37560

(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester Specification

The systematic name of (4-Formylthiazol-2-yl)carbamic acid tert-butyl ester is tert-butyl (4-formyl-1,3-thiazol-2-yl)carbamate. With the CAS registry number 494769-34-5, it is also named as Carbamic acid,N-(4-formyl-2-thiazolyl)-, 1,1-dimethylethyl ester. In addition, its molecular formula is C₉H₁₂N₂O₃S and molecular weight is 228.27.

The other characteristics of (4-Formylthiazol-2-yl)carbamic acid tert-butyl ester can be summarized as: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1.16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.7; (8)ACD/KOC (pH 7.4): 1.57; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 96.53 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 59.36 cm³; (15)Molar Volume: 172.8 cm³; (16)Polarizability: 23.53×10^-24cm³; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.32 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OC(=O)Nc1nc(cs1)C=O
(2)InChI: InChI=1/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h4-5H,1-3H3,(H,10,11,13)
(3)InChIKey: WJJQIZYBOFGKLA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h4-5H,1-3H3,(H,10,11,13)
(5)Std. InChIKey: WJJQIZYBOFGKLA-UHFFFAOYSA-N

Product Name

(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester

(4-Formylthiazol-2-yl)carbamic acid tert-butyl ester Specification

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