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CAS No.: | 332133-91-2 |
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Name: | 1,3,4-Thiadiazole, 2-iodo- |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C2HIN2S |
Molecular Weight: | 212.014 |
Synonyms: | 2-Iodo-1,3,4-thiadiazole; |
Density: | 2.424 g/cm3 |
Boiling Point: | 243.7 °C at 760 mmHg |
Flash Point: | 101.2 °C |
PSA: | 54.02000 |
LogP: | 1.14270 |
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The 1,3,4-Thiadiazole,2-iodo- has the CAS registry number 332133-91-2. It belongs to the product category of API intermediates. This chemical's molecular formula is C2HIN2S and molecular weight is 212.01. What's more, its systematic name is 2-iodo-1,3,4-thiadiazole.
Physical properties of 1,3,4-Thiadiazole,2-iodo- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/BCF (pH 5.5): 12.91; (5)ACD/KOC (pH 5.5): 217.17; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 54.02 Å2; (10)Index of Refraction: 1.698; (11)Molar Refractivity: 33.72 cm3; (12)Molar Volume: 87.4 cm3; (13)Polarizability: 13.37×10-24cm3; (14)Surface Tension: 71.6 dyne/cm; (15)Density: 2.424 g/cm3; (16)Flash Point: 101.2 °C; (17)Enthalpy of Vaporization: 46.12 kJ/mol; (18)Boiling Point: 243.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0495 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1nncs1
(2)InChI: InChI=1/C2HIN2S/c3-2-5-4-1-6-2/h1H
(3)InChIKey: VPSGDHZFVJANQC-UHFFFAOYAW