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32991-58-5

Basic Information
CAS No.: 32991-58-5
Name: 5-(METHYLTHIO)-3-PHENYL-1,2,4-THIADIAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 32991-58-5 (5-(METHYLTHIO)-3-PHENYL-1,2,4-THIADIAZOLE)
Formula: C9H8N2S2
Molecular Weight: 208.308
Synonyms: 5-(METHYLTHIO)-3-PHENYL-1,2,4-THIADIAZOLE
Density: 1.33 g/cm3
Boiling Point: 358.4 °C at 760 mmHg
Flash Point: 170.6 °C
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  • 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole

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  • 1,2,4-Thiadiazole,5-(methylthio)-3-phenyl-

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    1,2,4-Thiadiazole,5-(methylthio)-3-phenyl-

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  • 1,2,4-Thiadiazole,5-(methylthio)-3-phenyl-

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    1,2,4-Thiadiazole,5-(methylthio)-3-phenyl-

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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  • 5-(METHYLTHIO)-3-PHENYL-1,2,4-THIADIAZOLE

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  • 5-(Methylthio)-3-phenyl-1,2,4-thiadiazole

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  • 5-methylsulfanyl-3-phenyl-1,2,4-thiadiazole

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    5-methylsulfanyl-3-phenyl-1,2,4-thiadiazole

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

This chemical is called 1,2,4-Thiadiazole,5-(methylthio)-3-phenyl-, and its systematic name is 5-(methylsulfanyl)-3-phenyl-1,2,4-thiadiazole. With the molecular formula of C9H8N2S2, its molecular weight is 208.30. The CAS registry number of this chemical is 32991-58-5.

Other characteristics of the 1,2,4-Thiadiazole,5-(methylthio)-3-phenyl- can be summarised as followings: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 307.08; (6)ACD/BCF (pH 7.4): 307.08; (7)ACD/KOC (pH 5.5): 2098.82; (8)ACD/KOC (pH 7.4): 2098.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 79.32 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 57.83 cm3; (15)Molar Volume: 156.3 cm3; (16)Polarizability: 22.92×10-24cm3; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 58.01 kJ/mol; (21)Boiling Point: 358.4 °C at 760 mmHg; (22)Vapour Pressure: 5.26E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: n1c(SC)snc1c2ccccc2
2.InChI: InChI=1/C9H8N2S2/c1-12-9-10-8(11-13-9)7-5-3-2-4-6-7/h2-6H,1H3 
3.InChIKey: BCKNSBBDDVYPER-UHFFFAOYAK