1,3,4-Thiadiazol-2-amine,N-phenyl- supplier

Name
N-PHENYL-1,3,4-THIADIAZOL-2-AMINE
EINECS
CAS No. 3530-62-9
Article Data7
CAS DataBase
Density 1.348 g/cm³
Solubility
Melting Point
Formula C₈H₇N₃S
Boiling Point 303.9 °C at 760 mmHg
Molecular Weight 177.23
Flash Point 137.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,4-Thiadiazole,2-anilino- (6CI,7CI,8CI);2-Anilino-1,3,4-thiadiazole;Phenyl-1,3,4-thiadiazol-2-ylamine;N-Phenyl-1,3,4-thiadiazol-2-amine;
PSA 69.28000
LogP 1.70360

1,3,4-Thiadiazol-2-amine,N-phenyl- Specification

The 1,3,4-Thiadiazol-2-amine,N-phenyl-, with the CAS registry number 3530-62-9, is also known as Phenyl-1,3,4-thiadiazol-2-ylamine. This chemical's molecular formula is C₈H₇N₃S and molecular weight is 177.23. What's more, its systematic name is N-Phenyl-1,3,4-thiadiazol-2-amine.

Physical properties of 1,3,4-Thiadiazol-2-amine,N-phenyl- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 11.02; (6)ACD/BCF (pH 7.4): 11.02; (7)ACD/KOC (pH 5.5): 193.83; (8)ACD/KOC (pH 7.4): 193.91; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.26 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 50.19 cm³; (15)Molar Volume: 131.4 cm³; (16)Polarizability: 19.89×10^-24cm³; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.348 g/cm³; (19)Flash Point: 137.6 °C; (20)Enthalpy of Vaporization: 54.42 kJ/mol; (21)Boiling Point: 303.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000905 mmHg at 25°C.

Preparation: this chemical can be prepared by isothiocyanatobenzene and lithium-diazo-(trimethylsilyl)-methane at the temperature of 0 °C. This reaction will need solvent diethyl ether with the reaction time of 2 hours. The yield is about 83%.

1,3,4-Thiadiazol-2-amine,N-phenyl- can be prepared by isothiocyanatobenzene and lithium-diazo-(trimethylsilyl)-methane at the temperature of 0 °C

You can still convert the following datas into molecular structure:
(1)SMILES: n1ncsc1Nc2ccccc2
(2)InChI: InChI=1S/C8H7N3S/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11)
(3)InChIKey: BHJAUMXRPZNJEI-UHFFFAOYSA-N

Product Name

N-PHENYL-1,3,4-THIADIAZOL-2-AMINE

1,3,4-Thiadiazol-2-amine,N-phenyl- Specification

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