1,2,4-Thiadiazole,3-chloro-5-(methylthio)- supplier

Name
3-CHLORO-5-METHYLTHIO-1,2,4-THIADIAZOLE
EINECS
CAS No. 10191-90-9
Article Data6
CAS DataBase
Density 1.55 g/cm³
Solubility
Melting Point
Formula C₃H₃ClN₂S₂
Boiling Point 280.9 °C at 760 mmHg
Molecular Weight 166.655
Flash Point 123.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-5-(methylthio)-1,2,4-thiadiazole;
PSA 79.32000
LogP 1.91340

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

Product Name

3-CHLORO-5-METHYLTHIO-1,2,4-THIADIAZOLE

1,2,4-Thiadiazole,3-chloro-5-(methylthio)- Specification

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