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

Name
5-Amino-3-(4-chlorophenyl)-1,2,4-thiadiazole
EINECS
CAS No. 19922-07-7
Article Data1
CAS DataBase
Density 1.461 g/cm³
Solubility
Melting Point 183-185℃
Formula C₈H₆ClN₃S
Boiling Point 383.9 °C at 760 mmHg
Molecular Weight 211.675
Flash Point 186 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2,4-Thiadiazole,5-amino-3-(p-chlorophenyl)- (6CI,8CI);
PSA 80.04000
LogP 3.02190

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

The 1,2,4-Thiadiazol-5-amine,3-(4-chlorophenyl)-, with the CAS registry number 19922-07-7, is also known as 5-Amino-3-(4-chlorophenyl)-1,2,4-thiadiazole. This chemical's molecular formula is C₈H₆ClN₃S and molecular weight is 211.6713. What's more, its systematic name is called 3-(4-Chlorophenyl)-1,2,4-thiadiazol-5-amine. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1,2,4-Thiadiazol-5-amine,3-(4-chlorophenyl)- are: (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): 78.03; (6) ACD/BCF (pH 7.4): 78.15; (7) ACD/KOC (pH 5.5): 786.85; (8) ACD/KOC (pH 7.4): 788.06; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 80.04 Å²; (13) Index of Refraction: 1.676; (14) Molar Refractivity: 54.54 cm³; (15) Molar Volume: 144.8 cm³; (16) Surface Tension: 66.5 dyne/cm; (17) Density: 1.461 g/cm³; (18)Flash Point: 186 °C; (19) Enthalpy of Vaporization: 63.25 kJ/mol; (20) Boiling Point: 383.9 °C at 760 mmHg; (21) Vapour Pressure: 4.26E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)c2nc(N)sn2
(2) InChI: InChI=1/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
(3) InChIKey: IUSHKZWNRIGLGO-UHFFFAOYAK

Product Name

5-Amino-3-(4-chlorophenyl)-1,2,4-thiadiazole

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

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