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CAS No.: | 138300-59-1 |
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Name: | 2-CHLOROMETHYL-5-CYCLOPROPYL-1,3,4-THIADIAZOLE |
Molecular Structure: | |
Formula: | C6H7ClN2S |
Molecular Weight: | 174.65 |
Synonyms: | 2-Chloromethyl-5-cyclopropyl-[1,3,4]thiadiazole; |
Density: | 1.442 g/cm3 |
Melting Point: | 80 °C |
Boiling Point: | 298.1 °C at 760 mmHg |
Flash Point: | 134.1 °C |
PSA: | 54.02000 |
LogP: | 2.15430 |
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The 1,3,4-Thiadiazole,2-(chloromethyl)-5-cyclopropyl- is an organic compound with the formula C6H7ClN2S. The systematic name of this chemical is 2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole. With the CAS registry number 138300-59-1, it is also named as 5-(chloromethyl)-2-cyclopropyl-1,3,4-thiadiazole. The product's category is Halometyl.
Physical properties about 1,3,4-Thiadiazole,2-(chloromethyl)-5-cyclopropyl- are: (1)ACD/LogP: 0.63; (2)ACD/LogD (pH 5.5): 0.63; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 1.77; (5)ACD/BCF (pH 7.4): 1.77; (6)ACD/KOC (pH 5.5): 52.39; (7)ACD/KOC (pH 7.4): 52.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.02 Å2; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 42.61 cm3; (13)Molar Volume: 121 cm3; (14)Polarizability: 16.89×10-24cm3; (15)Surface Tension: 62.4 dyne/cm; (16)Density: 1.442 g/cm3; (17)Flash Point: 134.1 °C; (18)Enthalpy of Vaporization: 51.65 kJ/mol; (19)Boiling Point: 298.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00229 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nnc(s1)C2CC2
(2)InChI: InChI=1/C6H7ClN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2
(3)InChIKey: VDUGMUQOYNINHU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H7ClN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2
(5)Std. InChIKey: VDUGMUQOYNINHU-UHFFFAOYSA-N