Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Chloro-3-methyl-1,2,4-thiadiazole |
EINECS | N/A |
CAS No. | 21734-85-0 | Density | 1.438 g/cm3 |
PSA | 54.02000 | LogP | 1.49990 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H3ClN2S | Boiling Point | 221.475 °C at 760 mmHg |
Molecular Weight | 134.589 | Flash Point | 87.745 °C |
Transport Information | N/A | Appearance | N/A |
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; |
Article Data | 13 |
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