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57352-00-8

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Basic Information
CAS No.: 57352-00-8
Name: 3-Methylisothiazole-5-carbonitrile
Molecular Structure:
Molecular Structure of 57352-00-8 (3-Methylisothiazole-5-carbonitrile)
Formula: C5H4N2S
Molecular Weight: 124.166
Synonyms: 3-Methylisothiazole-5-carbonitrile
Density: 1.25 g/cm3
Boiling Point: 137.8 °C at 760 mmHg
Flash Point: 37.1 °C
PSA: 64.92000
LogP: 1.32318
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    57352-00-8

    3-Methylisothiazole-5-carbonitrile

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  • bis(2,4,6-tribromophenyl) benzene-1,4-dicarboxylate

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  • 3-Methylisothiazole-5-carbonitrile

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    3-Methylisothiazole-5-carbonitrile

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use as primary a

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  • 3-METHYLISOTHIAZOLE-5-CARBONITRILE

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    3-METHYLISOTHIAZOLE-5-CARBONITRILE

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    3-METHYLISOTHIAZOLE-5-CARBONITRILEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 3-Methylisothiazole-5-carbonitrile

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    3-Methylisothiazole-5-carbonitrile

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Specification

This chemical's CAS registry number is 57352-00-8. Its molecular formula is C5H4N2S and molecular weight is 124.1637. What's more, both the product name and systematic name are the same which is called 3-Methylisothiazole-5-carbonitrile.

Physical properties about 3-Methylisothiazole-5-carbonitrile are: (1)ACD/LogP: 0.71; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.03; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 57.67; (8)ACD/KOC (pH 7.4): 57.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.92 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 31.88 cm3; (15)Molar Volume: 98.8 cm3; (16)Polarizability: 12.63×10-24 cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 37.1 °C; (20)Enthalpy of Vaporization: 37.51 kJ/mol; (21)Boiling Point: 137.8 °C at 760 mmHg; (22)Vapour Pressure: 6.93 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(C)ns1
(2) InChI: InChI=1/C5H4N2S/c1-4-2-5(3-6)8-7-4/h2H,1H3
(3) InChIKey: RLKZZTIAXGIKFV-UHFFFAOYAL