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164926-91-4

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Basic Information
CAS No.: 164926-91-4
Name: 1-Piperazineethanethioamide,4-methyl-
Molecular Structure:
Molecular Structure of 164926-91-4 (1-Piperazineethanethioamide,4-methyl-)
Formula: C7H15N3S
Molecular Weight: 173.28
Synonyms: 2-(4-Methylpiperazin-1-yl)ethanethioamide;2-(4-Methylpiperazin-1-yl)thioacetamide;
Density: 1.119 g/cm3
Boiling Point: 277 °C at 760 mmHg
Flash Point: 121.3 °C
PSA: 64.59000
LogP: 0.09600
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Specification

The 1-Piperazineethanethioamide,4-methyl-, with the CAS registry number 164926-91-4, is also known as 2-(4-Methylpiperazin-1-yl)ethanethioamide. It belongs to the product category of Piperidine. The molecular formula of this chemical is C7H15N3S and molecular weight is 173.28. What's more, its systematic name is 2-(4-Methylpiperazin-1-yl)thioacetamide.

Physical properties of 1-Piperazineethanethioamide,4-methyl- are:(1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 64.59 Å2; (6)Index of Refraction: 1.565; (7)Molar Refractivity: 50.43 cm3; (8)Molar Volume: 154.8 cm3; (9)Polarizability: 19.99×10-24 cm3; (10)Surface Tension: 49.1 dyne/cm; (11)Density: 1.119 g/cm3; (12)Flash Point: 121.3 °C; (13)Enthalpy of Vaporization: 51.55 kJ/mol; (14)Boiling Point: 277 °C at 760 mmHg; (15)Vapour Pressure: 0.00464 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCN(CC1)CC(=S)N
(2)InChI: InChI=1/C7H15N3S/c1-9-2-4-10(5-3-9)6-7(8)11/h2-6H2,1H3,(H2,8,11)
(3)InChIKey: KAUKVYOVJQGSKW-UHFFFAOYAU