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CAS No.: | 27182-54-3 |
---|---|
Name: | 5-PHENYL-1,2,4-THIADIAZOL-3-AMINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H7N3S |
Molecular Weight: | 177.23 |
Synonyms: | 5-Phenyl-1,2,4-thiadiazol-3-amine;1,2,4-Thiadiazole,3-amino-5-phenyl- (6CI,7CI,8CI);3-Amino-5-phenyl-1,2,4-thiadiazole; |
Density: | 1.333 g/cm3 |
Melting Point: | 136 °C |
Boiling Point: | 359 °C at 760 mmHg |
Flash Point: | 170.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 80.04000 |
LogP: | 2.36850 |
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The 1,2,4-Thiadiazol-3-amine,5-phenyl-, with the CAS registry number 27182-54-3, is also known as 3-Amino-5-phenyl-1,2,4-thiadiazole. This chemical's molecular formula is C8H7N3S and molecular weight is 177.23. What's more, its systematic name is 5-phenyl-1,2,4-thiadiazol-3-amine.
Physical properties of 1,2,4-Thiadiazol-3-amine,5-phenyl- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/BCF (pH 5.5): 20.52; (5)ACD/KOC (pH 5.5): 302.58; (6)ACD/KOC (pH 7.4): 302.63; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 57.26 Å2; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 49.64 cm3; (13)Molar Volume: 132.9 cm3; (14)Surface Tension: 65.3 dyne/cm; (15)Density: 1.333 g/cm3; (16)Flash Point: 170.9 °C; (17)Enthalpy of Vaporization: 60.46 kJ/mol; (18)Boiling Point: 359 °C at 760 mmHg; (19)Vapour Pressure: 2.45E-05 mmHg at 25°C.
Uses of 1,2,4-Thiadiazol-3-amine,5-phenyl-: it can be used to produce 1-ethoxycarbonyl-3-(5'-phenyl-1',2',4' -thiadiazol-3'-yl)thiourea at the ambient temperature. It will need solvent diethyl ether with the reaction time of 12 hours. The yield is about 65%.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(snc1N)c2ccccc2
(2)InChI: InChI=1S/C8H7N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
(3)InChIKey: WOZDQVLZCXNJPY-UHFFFAOYSA-N