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91818-68-7

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Basic Information
CAS No.: 91818-68-7
Name: 4-Methyl-3-phenylisothiazol-5-amine
Article Data: 2
Molecular Structure:
Molecular Structure of 91818-68-7 (4-Methyl-3-phenylisothiazol-5-amine)
Formula: C10H10N2S
Molecular Weight: 190.269
Synonyms: Isothiazole,5-amino-4-methyl-3-phenyl- (7CI);
Density: 1.219 g/cm3
Boiling Point: 253.4 °C at 760 mmHg
Flash Point: 107.1 °C
PSA: 67.15000
LogP: 3.28190
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Specification

The 4-Methyl-3-phenylisothiazol-5-amine, its cas register number is 91818-68-7. It also can be called as 5-Isothiazolamine,4-methyl-3-phenyl- and the Systematic name about this chemical is 4-Methyl-3-phenylisothiazol-5-amine.

Following are the chemical properties about 4-Methyl-3-phenylisothiazol-5-amine: (1)#H bond acceptors: 2; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 67.15Å2; (5)Index of Refraction: 1.642; (6)Molar Refractivity: 56.38 cm3; (7)Molar Volume: 155.9 cm3; (8)Polarizability: 22.35x10-24cm3; (9)Surface Tension: 53.2 dyne/cm; (10)Enthalpy of Vaporization: 49.08 kJ/mol; (11)Vapour Pressure: 0.0183 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: Nc2snc(c1ccccc1)c2C
(2)InChI: InChI=1/C10H10N2S/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
(3)InChIKey: QPVJZNGLJGQLFQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H10N2S/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
(5)Std. InChIKey: QPVJZNGLJGQLFQ-UHFFFAOYSA-N