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| Name |
1H-Pyrazol-4-amine,1-(2-benzothiazolyl)- |
EINECS | N/A |
| CAS No. | 28469-10-5 | Density | 1.54 g/cm3 |
| PSA | 84.97000 | LogP | 2.64540 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H8N4S | Boiling Point | 461 °C at 760 mmHg |
| Molecular Weight | 216.266 | Flash Point | 232.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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)-; |
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 |
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