1H-Pyrazol-4-amine,1-(2-benzothiazolyl)- supplier

Name
Benzothiazole, 2-(4-aminopyrazol-1-yl)- (8CI)
EINECS
CAS No. 28469-10-5
Density 1.54 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₄S
Boiling Point 461 °C at 760 mmHg
Molecular Weight 216.266
Flash Point 232.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzothiazole,2-(4-aminopyrazol-1-yl)- (8CI);1-(1,3-benzothiazol-2-yl)pyrazol-4-amine;1-(1,3-benzothiazol-2-yl)-1H-pyrazol-4-amine;2-(4-Aminopyrazol-1-yl)benzothiazole;Benzothiazole, 2-(4-aminopyrazol-1-yl)-;
PSA 84.97000
LogP 2.64540

1H-Pyrazol-4-amine,1-(2-benzothiazolyl)- Specification

The 1H-Pyrazol-4-amine,1-(2-benzothiazolyl)-, with the CAS registry number 28469-10-5, has the sydtematic name of 1-(1,3-benzothiazol-2-yl)-1H-pyrazol-4-amine. It belongs to the product category of Benzothiazole. And the molecular formula of the chemical is C₁₀H₈N₄S.

The characteristics of 1H-Pyrazol-4-amine,1-(2-benzothiazolyl)- are as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 62.19 Å²; (7)Index of Refraction: 1.82; (8)Molar Refractivity: 60.77 cm³; (9)Molar Volume: 139.5 cm³; (10)Polarizability: 24.09×10^-24cm³; (11)Surface Tension: 71.9 dyne/cm; (12)Density: 1.54 g/cm³; (13)Flash Point: 232.6 °C; (14)Enthalpy of Vaporization: 72.18 kJ/mol; (15)Boiling Point: 461 °C at 760 mmHg; (16)Vapour Pressure: 1.11E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c3ccccc3sc1n2ncc(N)c2
(2)InChI: InChI=1/C10H8N4S/c11-7-5-12-14(6-7)10-13-8-3-1-2-4-9(8)15-10/h1-6H,11H2
(3)InChIKey: FHXOZUQFLXSUIL-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 800mg/kg (800mg/kg)		Farmaco, Edizione Scientifica. Vol. 25, Pg. 592, 1970

Product Name

Benzothiazole, 2-(4-aminopyrazol-1-yl)- (8CI)

1H-Pyrazol-4-amine,1-(2-benzothiazolyl)- Specification

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