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CAS No.: | 21734-85-0 |
---|---|
Name: | 5-CHLORO-3-METHYL-1,2,4-THIADIAZOLE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C3H3ClN2S |
Molecular Weight: | 134.589 |
Synonyms: | 3-Methyl-5-chloro-1,2,4-thiadiazole;5-Chloro-3-methyl-1,2,4-thiadiazole; |
Density: | 1.438 g/cm3 |
Boiling Point: | 221.475 °C at 760 mmHg |
Flash Point: | 87.745 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 54.02000 |
LogP: | 1.49990 |
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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