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42270-37-1

Basic Information
CAS No.: 42270-37-1
Name: 1-(2-Thiazolyl)piperazine
Article Data: 23
Molecular Structure:
Molecular Structure of 42270-37-1 (1-(2-Thiazolyl)piperazine)
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: IrritantXi
Risk Codes: 22
PSA: 56.40000
LogP: 0.94650
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Specification

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