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494763-22-3

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Basic Information
CAS No.: 494763-22-3
Name: 3-CHLORO-5-PHENYLSULFONYL-1,2,4-THIADIAZOLE
Molecular Structure:
Molecular Structure of 494763-22-3 (3-CHLORO-5-PHENYLSULFONYL-1,2,4-THIADIAZOLE)
Formula: C8H5ClN2O2S2
Molecular Weight: 260.72
Synonyms: 3-CHLORO-5-PHENYLSULFONYL-1,2,4-THIADIAZOLE
Density: 1.573 g/cm3
Boiling Point: 443 °C at 760 mmHg
Flash Point: 221.7 °C
PSA: 96.54000
LogP: 3.10510
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Specification

This chemical is called 1,2,4-Thiadiazole,3-chloro-5-(phenylsulfonyl)-, and its systematic name is 3-chloro-5-(phenylsulfonyl)-1,2,4-thiadiazole. With the molecular formula of C8H5ClN2O2S2, its molecular weight is 260.72. The CAS registry number of this chemical is 494763-22-3.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.4; (6)ACD/BCF (pH 7.4): 47.4; (7)ACD/KOC (pH 5.5): 551; (8)ACD/KOC (pH 7.4): 551; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 96.54 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 58.84 cm3; (15)Molar Volume: 165.6 cm3; (16)Polarizability: 23.32×10-24cm3; (17)Surface Tension: 64.8 dyne/cm; (18)Density: 1.573 g/cm3; (19)Flash Point: 221.7 °C; (20)Enthalpy of Vaporization: 67.36 kJ/mol; (21)Boiling Point: 443 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(=O)(c1nc(Cl)ns1)c2ccccc2
2.InChI: InChI=1/C8H5ClN2O2S2/c9-7-10-8(14-11-7)15(12,13)6-4-2-1-3-5-6/h1-5H 
3.InChIKey: DMCARCVEFSAHRP-UHFFFAOYAG