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25372-35-4

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Basic Information
CAS No.: 25372-35-4
Name: 1-(M-TOLYL)IMIDAZOLINE-2-THIONE
Molecular Structure:
Molecular Structure of 25372-35-4 (1-(M-TOLYL)IMIDAZOLINE-2-THIONE)
Formula: C10H10N2S
Molecular Weight: 190.269
Synonyms: 1-(m-Tolyl)imidazoline-2-thione;
Density: 1.27 g/cm3
Melting Point: 153 °C
Boiling Point: 309.7 °C at 760 mmHg
Flash Point: 141.1 °C
PSA: 52.81000
LogP: 2.84330
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Specification

The 1-(3-Methylphenyl)-3H-imidazole-2-thione, with the CAS registry number 25372-35-4, is also known as 1-(3-Methylphenyl)-1,3-dihydro-2H-imidazole-2-thione. This chemical's molecular formula is C10H10N2S and molecular weight is 190.26. What's more, its IUPAC name is called 3-(3-Methylphenyl)-1H-imidazole-2-thione.

Physical properties about 1-(3-Methylphenyl)-3H-imidazole-2-thione are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.13; (6)ACD/BCF (pH 7.4): 27.13; (7)ACD/KOC (pH 5.5): 369.6; (8)ACD/KOC (pH 7.4): 369.59; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 57.77 cm3; (15)Molar Volume: 149.5 cm3; (16)Surface Tension: 63 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 141.1 °C; (19)Enthalpy of Vaporization: 55.05 kJ/mol; (20)Boiling Point: 309.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000629 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C2N(c1cccc(c1)C)\C=C/N2
(2) InChI: InChI=1S/C10H10N2S/c1-8-3-2-4-9(7-8)12-6-5-11-10(12)13/h2-7H,1H3,(H,11,13)
(3) InChIKey: GJDRJIVMFXHPFP-UHFFFAOYSA-N