Name: Tizoprolic
SKU: 30709-69-4

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Basic Information

Molecular Structure:
CAS No.:	30709-69-4
Name:	Tizoprolic
Article Data:	6

Formula:	C₇H₉NO₂S
Molecular Weight:	171.22
Synonyms:	2-Propyl-5-thiazolecarboxylicacid;RU 15350;2-Propyl-1,3-thiazole-5-carboxylic acid;
Density:	1.278 g/cm³
Boiling Point:	314.538 °C at 760 mmHg
Flash Point:	144.027 °C
PSA:	78.43000
LogP:	1.79380

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Specification

The Tizoprolic acid, with the CAS registry number 30709-69-4, is also known as 2-Propyl-5-thiazolecarboxylicacid. This chemical's molecular formula is C₇H₉NO₂S and molecular weight is 171.22. What's more, its systematic name is 2-Propyl-1,3-thiazole-5-carboxylic acid.

Physical properties of Tizoprolic acid are: (1)ACD/LogP: 0.976; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -2.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.43 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 43.841 cm³; (15)Molar Volume: 133.99 cm³; (16)Polarizability: 17.38×10^-24cm³; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.278 g/cm³; (19)Flash Point: 144.027 °C; (20)Enthalpy of Vaporization: 58.671 kJ/mol; (21)Boiling Point: 314.538 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1sc(nc1)CCC
(2)Std. InChI: InChI=1S/C7H9NO2S/c1-2-3-6-8-4-5(11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
(3)Std. InChIKey: IOSZDNOGOPHEPH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1680mg/kg (1680mg/kg)		United States Patent Document. Vol. #4045567.
mouse	LD50	oral	> 2gm/kg (2000mg/kg)		United States Patent Document. Vol. #4045567.