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CAS No.: | 42270-37-1 |
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Name: | 1-(2-Thiazolyl)piperazine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C7H11N3S |
Molecular Weight: | 169.25 |
Synonyms: | 4-(1,3-Thiazol-2-yl)piperazine;1-Thiazol-2-yl-piperazine; |
EINECS: | 255-743-5 |
Density: | 1.205 g/cm3 |
Boiling Point: | 293.1 °C at 760 mmHg |
Flash Point: | 131.1 °C |
Appearance: | Colorless to pale yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 56.40000 |
LogP: | 0.94650 |
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The 1-(2-Thiazolyl)piperazine with cas registry number of 42270-37-1, belongs to the following product categories: (1)PIPERIDINE; (2)pharmacetical; (3)piperazines. It has the systematic name of 1-(1,3-thiazol-2-yl)piperazine. And its IUPAC name is 2-piperazin-1-yl-1,3-thiazole.
Physical properties about this chemical are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 47.61 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 46.28 cm3; (9)Molar Volume: 140.4 cm3; (10)Polarizability: 18.34×10-24cm3; (11)Surface Tension: 47.8 dyne/cm; (12)Enthalpy of Vaporization: 53.26 kJ/mol; (13)Vapour Pressure: 0.00176 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccsc1N2CCNCC2;
(2)InChI: InChI=1/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2;
(3)InChIKey: WQFWIVTXNKRNJZ-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2;
(5)Std. InChIKey: WQFWIVTXNKRNJZ-UHFFFAOYSA-N