1,2,4-Thiadiazol-3-amine,5-(4-chlorophenyl)- supplier

Name
1,2,4-THIADIAZOL-3-AMINE, 5-(4-CHLOROPHENYL)-
EINECS
CAS No. 89894-30-4
Density 1.461 g/cm³
Solubility
Melting Point
Formula C₈H₆ClN₃S
Boiling Point 383.9 °C at 760 mmHg
Molecular Weight 211.675
Flash Point 186 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 1,2,4-Thiadiazole,3-amino-5-(p-chlorophenyl)- (6CI,7CI);
PSA 80.04000
LogP 3.02190

1,2,4-Thiadiazol-3-amine,5-(4-chlorophenyl)- Specification

The 1,2,4-Thiadiazol-3-amine,5-(4-chlorophenyl)-, with CAS registry number 89894-30-4, has the systematic name of 5-(4-chlorophenyl)-1,2,4-thiadiazol-3-amine. Besides this, it is also called 5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-ylamine. And the chemical formula of this chemical is C₈H₆ClN₃S.

Physical properties of 1,2,4-Thiadiazol-3-amine,5-(4-chlorophenyl)-: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 78.14; (6)ACD/BCF (pH 7.4): 78.15; (7)ACD/KOC (pH 5.5): 788; (8)ACD/KOC (pH 7.4): 788.07; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.26 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 54.54 cm³; (15)Molar Volume: 144.8 cm³; (16)Polarizability: 21.62×10^-24cm³; (17)Surface Tension: 66.5 dyne/cm; (18)Enthalpy of Vaporization: 63.25 kJ/mol; (19)Vapour Pressure: 4.26E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1nc(ns1)N)cc2
(2)InChI: InChI=1/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-8(10)12-13-7/h1-4H,(H2,10,12)
(3)InChIKey: XVSZVIZTUWVCFL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-8(10)12-13-7/h1-4H,(H2,10,12)
(5)Std. InChIKey: XVSZVIZTUWVCFL-UHFFFAOYSA-N

Product Name

1,2,4-THIADIAZOL-3-AMINE, 5-(4-CHLOROPHENYL)-

1,2,4-Thiadiazol-3-amine,5-(4-chlorophenyl)- Specification

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