5-(2,4-Dichlorophenyl)-4-methyl-1,2,4-triazole-3-thiol supplier

Name
5-(2,4-DICHLOROPHENYL)-4-METHYL-1 2 4-TRIAZOLE-3-THIOL
EINECS
CAS No. 162693-41-6
Density 1.55 g/cm³
Solubility
Melting Point 175-177°C
Formula C₉H₇Cl₂N₃S
Boiling Point 331.2 °C at 760 mmHg
Molecular Weight 260.143
Flash Point 154.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(2,4-DICHLOROPHENYL)-4-METHYL-1 2 4-TRIAZOLE-3-THIOL;5-(2,4-DICHLOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL;BUTTPARK 25\03-21;ART-CHEM-BB B017969
PSA 69.51000
LogP 3.07760

5-(2,4-Dichlorophenyl)-4-methyl-1,2,4-triazole-3-thiol Specification

The 5-(2,4-Dichlorophenyl)-4-methyl-1,2,4-triazole-3-thiol, with CAS registry number 162693-41-6, has the systematic name of 5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol. This chemical may cause inflammation to the skin or other mucous membranes. And the chemical formula of this chemical is C₉H₇Cl₂N₃S.

Physical properties of 5-(2,4-Dichlorophenyl)-4-methyl-1,2,4-triazole-3-thiol: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 50.59; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 326.45; (8)ACD/KOC (pH 7.4): 7.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.93 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 65.32 cm³; (15)Molar Volume: 167.1 cm³; (16)Polarizability: 25.89×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.55 g/cm³; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 57.38 kJ/mol; (21)Boiling Point: 331.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1N(C(=N/N1)\c2c(Cl)cc(Cl)cc2)C
(2)InChI: InChI=1/C9H7Cl2N3S/c1-14-8(12-13-9(14)15)6-3-2-5(10)4-7(6)11/h2-4H,1H3,(H,13,15)
(3)InChIKey: KNPVHXREFIERGC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H7Cl2N3S/c1-14-8(12-13-9(14)15)6-3-2-5(10)4-7(6)11/h2-4H,1H3,(H,13,15)
(5)Std. InChIKey: KNPVHXREFIERGC-UHFFFAOYSA-N

Product Name

5-(2,4-DICHLOROPHENYL)-4-METHYL-1 2 4-TRIAZOLE-3-THIOL

5-(2,4-Dichlorophenyl)-4-methyl-1,2,4-triazole-3-thiol Specification

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