5-Chloro-3-methyl-1,2,4-thiadiazole supplier

Name
5-CHLORO-3-METHYL-1,2,4-THIADIAZOLE
EINECS
CAS No. 21734-85-0
Article Data13
CAS DataBase
Density 1.438 g/cm³
Solubility
Melting Point
Formula C₃H₃ClN₂S
Boiling Point 221.475 °C at 760 mmHg
Molecular Weight 134.589
Flash Point 87.745 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Methyl-5-chloro-1,2,4-thiadiazole;5-Chloro-3-methyl-1,2,4-thiadiazole;
PSA 54.02000
LogP 1.49990

5-Chloro-3-methyl-1,2,4-thiadiazole Specification

The 1,2,4-Thiadiazole,5-chloro-3-methyl-, with CAS registry number 21734-85-0, has the systematic name of 5-chloro-3-methyl-1,2,4-thiadiazole. And the chemical formula of this chemical is C₃H₃ClN₂S. Its molecular weight is 134.59.

Physical properties of 1,2,4-Thiadiazole,5-chloro-3-methyl-: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 194; (8)ACD/KOC (pH 7.4): 194; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 30.54 cm³; (15)Molar Volume: 93.586 cm³; (16)Polarizability: 12.107×10^-24cm³; (17)Surface Tension: 52.774 dyne/cm; (18)Density: 1.438 g/cm³; (19)Flash Point: 87.745 °C; (20)Enthalpy of Vaporization: 43.928 kJ/mol; (21)Boiling Point: 221.475 °C at 760 mmHg; (22)Vapour Pressure: 0.159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(sn1)Cl
(2)InChI: InChI=1/C3H3ClN2S/c1-2-5-3(4)7-6-2/h1H3
(3)InChIKey: ILTLLMVRPBXCSX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C3H3ClN2S/c1-2-5-3(4)7-6-2/h1H3
(5)Std. InChIKey: ILTLLMVRPBXCSX-UHFFFAOYSA-N

Product Name

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

5-Chloro-3-methyl-1,2,4-thiadiazole Specification

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