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10191-90-9

Basic Information
CAS No.: 10191-90-9
Name: 3-CHLORO-5-METHYLTHIO-1,2,4-THIADIAZOLE
Article Data: 6
Molecular Structure:
Molecular Structure of 10191-90-9 (3-CHLORO-5-METHYLTHIO-1,2,4-THIADIAZOLE)
Formula: C3H3ClN2S2
Molecular Weight: 166.655
Synonyms: 3-Chloro-5-(methylthio)-1,2,4-thiadiazole;
Density: 1.55 g/cm3
Boiling Point: 280.9 °C at 760 mmHg
Flash Point: 123.7 °C
PSA: 79.32000
LogP: 1.91340
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Specification

This chemical is called 1,2,4-Thiadiazole,3-chloro-5-(methylthio)-, and its systematic name is 3-chloro-5-(methylsulfanyl)-1,2,4-thiadiazole. With the molecular formula of C3H3ClN2S2, its molecular weight is 166.65. The CAS registry number of this chemical is 10191-90-9.

Other characteristics of the 1,2,4-Thiadiazole,3-chloro-5-(methylthio)- can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.84; (6)ACD/BCF (pH 7.4): 38.84; (7)ACD/KOC (pH 5.5): 477.76; (8)ACD/KOC (pH 7.4): 477.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 79.32 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 37.95 cm3; (15)Molar Volume: 107 cm3; (16)Polarizability: 15.04×10-24cm3; (17)Surface Tension: 69.5 dyne/cm; (18)Density: 1.55 g/cm3; (19)Flash Point: 123.7 °C; (20)Enthalpy of Vaporization: 49.87 kJ/mol; (21)Boiling Point: 280.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00628 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1nc(SC)sn1
2.InChI: InChI=1/C3H3ClN2S2/c1-7-3-5-2(4)6-8-3/h1H3
3.InChIKey: SKCVFIBEIGHQTK-UHFFFAOYAY