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60093-15-4

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Basic Information
CAS No.: 60093-15-4
Name: 3-AMINO-5-PHENYLAMINO-1,2,4-THIADIAZOLE
Article Data: 5
Molecular Structure:
Molecular Structure of 60093-15-4 (3-AMINO-5-PHENYLAMINO-1,2,4-THIADIAZOLE)
Formula: C8H8N4S
Molecular Weight: 192.244
Synonyms: 3-Amino-5-anilino-1,2,4-thiadiazole;1,2,4-Thiadiazole,3-amino-5-anilino- (6CI,7CI);
Density: 1.438 g/cm3
Melting Point: 210-212°C
Boiling Point: 375.7 °C at 760 mmHg
Flash Point: 181 °C
PSA: 92.07000
LogP: 2.51810
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Specification

This chemical is called 1,2,4-Thiadiazole-3,5-diamine,N5-phenyl-, and its systematic name is N5-phenyl-1,2,4-thiadiazole-3,5-diamine. With the molecular formula of C8H8N4S, its molecular weight is 192.24. The CAS registry number of this chemical is 60093-15-4.

Other characteristics of the 1,2,4-Thiadiazole-3,5-diamine,N5-phenyl- can be summarised as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.82; (6)ACD/BCF (pH 7.4): 6.98; (7)ACD/KOC (pH 5.5): 136.6; (8)ACD/KOC (pH 7.4): 139.83; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 60.5 Å2; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 54.43 cm3; (15)Molar Volume: 133.6 cm3; (16)Polarizability: 21.57×10-24cm3; (17)Surface Tension: 78.4 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 181 °C; (20)Enthalpy of Vaporization: 62.32 kJ/mol; (21)Boiling Point: 375.7 °C at 760 mmHg; (22)Vapour Pressure: 7.64E-06 mmHg at 25°C.

Production method of this chemical: The 1,2,4-Thiadiazole-3,5-diamine,N5-phenyl- could be obtained by the reactant of N-carbamimidoyl-N'-phenyl-thiourea. This reaction needs the reagent of aqueous H2O2, ethanolic and HCl.

The 1,2,4-Thiadiazole-3,5-diamine,N5-phenyl- could be obtained by the reactant of N-carbamimidoyl-N'-phenyl-thiourea

Uses of this chemical: The 1,2,4-Thiadiazole-3,5-diamine,N5-phenyl- could react with benzoyl isothiocyanate to obtain the 1-benzoyl-3-(5-phenylamino-[1,2,4]thiadiazol-3-yl)-thiourea. This reaction needs the solvents of ethanol and acetone. The yield is 32 %. In addition, this reaction should be taken for 1 hour. The other condition is heating.

The 1,2,4-Thiadiazole-3,5-diamine,N5-phenyl- could react with benzoyl isothiocyanate to obtain the 1-benzoyl-3-(5-phenylamino-[1,2,4]thiadiazol-3-yl)-thiourea

You can still convert the following datas into molecular structure: 
1.SMILES: n1c(snc1N)Nc2ccccc2
2.InChI: InChI=1/C8H8N4S/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
3.InChIKey: VQILAUHHKYCEOS-UHFFFAOYAT