1,3,4-Thiadiazole,2-(chloromethyl)-5-cyclopropyl- supplier

Name
2-CHLOROMETHYL-5-CYCLOPROPYL-1,3,4-THIADIAZOLE
EINECS
CAS No. 138300-59-1
Density 1.442 g/cm³
Solubility
Melting Point 80 °C
Formula C₆H₇ClN₂S
Boiling Point 298.1 °C at 760 mmHg
Molecular Weight 174.65
Flash Point 134.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloromethyl-5-cyclopropyl-[1,3,4]thiadiazole;
PSA 54.02000
LogP 2.15430

1,3,4-Thiadiazole,2-(chloromethyl)-5-cyclopropyl- Specification

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

Product Name

2-CHLOROMETHYL-5-CYCLOPROPYL-1,3,4-THIADIAZOLE

1,3,4-Thiadiazole,2-(chloromethyl)-5-cyclopropyl- Specification

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