CAS No.1226056-71-8,Thiazovivin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1226056-71-8
Name:	Thiazovivin
Article Data:	3

Formula:	C₁₅H₁₃N₅OS
Molecular Weight:	311.367
Synonyms:	N-Benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide;Thiazovivin;N-(Phenylmethyl)-2-(4-pyrimidinylamino)-4-thiazolecarboxamide
EINECS:	808-340-9
Density:	1.38 g/cm³
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	108.04000
LogP:	3.07060

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Specification

The Thiazovivin is an organic compound with the formula C₁₅H₁₃N₅OS. The systematic name of this chemical is N-benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide. With the CAS registry number 1226056-71-8, it is also named as 4-thiazolecarboxamide, N-(phenylmethyl)-2-(4-pyrimidinylamino)-.

Physical properties about Thiazovivin are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.627; (3)ACD/LogD (pH 7.4): 1.628; (4)ACD/BCF (pH 5.5): 10.147; (5)ACD/BCF (pH 7.4): 10.17; (6)ACD/KOC (pH 5.5): 182.668; (7)ACD/KOC (pH 7.4): 183.092; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 108.04 Å²; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 86.396 cm³; (14)Molar Volume: 225.673 cm³; (15)Polarizability: 34.25×10^-24cm³; (16)Surface Tension: 69.464 dyne/cm; (17)Density: 1.38 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CNC(=O)c2csc(n2)Nc3ccncn3
(2)InChI: InChI=1/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)
(3)InChIKey: DOBKQCZBPPCLEG-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)
(5)Std. InChIKey: DOBKQCZBPPCLEG-UHFFFAOYSA-N