-
Name
N-(2,6-Dichloro-3-methylphenyl)-5,7-dichloro-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide
- EINECS
- CAS No. 134892-32-3
- Article Data2
- CAS DataBase
- Density 1.88 g/cm3
- Solubility
- Melting Point
- Formula C12H7Cl4N5O2S
- Boiling Point
- Molecular Weight 427.098
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-(2,6-Dichloro-3-methylphenyl)-5,7-dichloro-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide;5,7-Dichloro-N-(2,6-dichloro-3-methylphenyl)-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide;
- PSA 97.63000
- LogP 5.00090
N-(2,6-Dichloro-3-methylphenyl)-5,7-dichloro-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide Specification
The cas register number of N-(2,6-Dichloro-3-methylphenyl)-5,7-dichloro-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide is 134892-32-3. It also can be called as [1,2,4]Triazolo[1,5-a]pyrimidine-2-sulfonamide,5,7-dichloro-N-(2,6-dichloro-3-methylphenyl)- and the Systematic name about this chemical is 5,7-dichloro-N-(2,6-dichloro-3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
Physical properties about N-(2,6-Dichloro-3-methylphenyl)-5,7-dichloro-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamideare: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 10.05; (5)ACD/BCF (pH 7.4): 2.21; (6)ACD/KOC (pH 5.5): 76.45; (7)ACD/KOC (pH 7.4): 16.81; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 97.63Å2; (12)Index of Refraction: 1.772; (13)Molar Refractivity: 94.34 cm3; (14)Molar Volume: 226.5 cm3; (15)Polarizability: 37.4x10-24cm3; (16)Surface Tension: 70 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(Cl)cc(Cl)n2n1
(2)InChI: InChI=1/C12H7Cl4N5O2S/c1-5-2-3-6(13)10(9(5)16)20-24(22,23)12-18-11-17-7(14)4-8(15)21(11)19-12/h2-4,20H,1H3
(3)InChIKey: FWQYDFJTQRNKMD-UHFFFAOYAZ
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