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| CAS No.: | 2254-88-8 |
|---|---|
| Name: | 3,5-DICHLORO-1,2,4-THIADIAZOLE |
| Molecular Structure: | |
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|
|
| Formula: | C2Cl2N2S |
| Molecular Weight: | 155.007 |
| Synonyms: | 3,5-Dichloro-1,2,4-thiadiazole; |
| Density: | 1.736g/cm3 |
| Melting Point: | -4 °C |
| Boiling Point: | 250.1 °C at 760 mmHg |
| Flash Point: | 105.1 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 54.02000 |
| LogP: | 1.84490 |
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Specification
The 1,2,4-Thiadiazole,3,5-dichloro-, with CAS registry number 2254-88-8, has the systematic name of 3,5-dichloro-1,2,4-thiadiazole. Besides this, it is also called 3,5-Dichloro-1,2,4-thiadiazole,99%. This chemical is a kind of clear colorless to slightly yellow liquid. And the chemical formula of this chemical is C2Cl2N2S.
Physical properties of 1,2,4-Thiadiazole,3,5-dichloro-: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.24; (6)ACD/BCF (pH 7.4): 37.24; (7)ACD/KOC (pH 5.5): 463.56; (8)ACD/KOC (pH 7.4): 463.56; (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: 1.601; (14)Molar Refractivity: 30.6 cm3; (15)Molar Volume: 89.2 cm3; (16)Polarizability: 12.13×10-24cm3; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.736 g/cm3; (19)Flash Point: 105.1 °C; (20)Enthalpy of Vaporization: 46.77 kJ/mol; (21)Boiling Point: 250.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0349 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)ns1
(2)InChI: InChI=1/C2Cl2N2S/c3-1-5-2(4)7-6-1
(3)InChIKey: CEUHPOVLEQUFCC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C2Cl2N2S/c3-1-5-2(4)7-6-1
(5)Std. InChIKey: CEUHPOVLEQUFCC-UHFFFAOYSA-N