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CAS No.: | 55981-29-8 |
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Name: | 1,3,4-Thiadiazole, 2,5-dibromo- |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C2Br2N2S |
Molecular Weight: | 243.909 |
Synonyms: | 2,5-Dibromothiadiazole; |
EINECS: | 692-177-1 |
Density: | 2.496 g/cm3 |
Boiling Point: | 289.418 °C at 760 mmHg |
Flash Point: | 128.836 °C |
PSA: | 54.02000 |
LogP: | 2.06310 |
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The 2,5-Dibromo-1,3,4-thiadiazole, with the CAS registry number 55981-29-8, is also known as 2,5-Dibromothiadiazole. This chemical's molecular formula is C2Br2N2S and molecular weight is 243.91. What's more, its systematic name is 2,5-Dibromo-1,3,4-thiadiazole.
Physical properties of 2,5-Dibromo-1,3,4-thiadiazole are: (1)ACD/LogP: 2.7; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.70; (4)ACD/LogD (pH 7.4): 2.70; (5)ACD/BCF (pH 5.5): 66.38; (6)ACD/BCF (pH 7.4): 66.38; (7)ACD/KOC (pH 5.5): 701.16; (8)ACD/KOC (pH 7.4): 701.16; (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: 1.663; (14)Molar Refractivity: 36.2 cm3; (15)Molar Volume: 97.73 cm3; (16)Polarizability: 14.351×10-24cm3; (17)Surface Tension: 67.1 dyne/cm; (18)Density: 2.496 g/cm3; (19)Flash Point: 128.836 °C; (20)Enthalpy of Vaporization: 50.752 kJ/mol; (21)Boiling Point: 289.418 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1nnc(Br)s1
(2)Std. InChI: InChI=1S/C2Br2N2S/c3-1-5-6-2(4)7-1
(3)Std. InChIKey: MNHUBBRVPVSVCM-UHFFFAOYSA-N