CAS No.78301-72-1,4-PHENYL-1,2,3-THIADIAZOL-5-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78301-72-1
Name:	4-PHENYL-1,2,3-THIADIAZOL-5-AMINE
Article Data:	2

Formula:	C₈H₇N₃S
Molecular Weight:	177.23
Synonyms:	5-Amino-4-phenyl-1,2,3-thiadiazole;4-phenyl-1,2,3-thiadiazol-5-amine;1,2,3-thiadiazol-5-amine, 4-phenyl-;4-phenyl-1,2,3-thiadiazole-5-ylamine;
Density:	1.333 g/cm³
Melting Point:	144 °C
Boiling Point:	341.4 °C at 760 mmHg
Flash Point:	160.3 °C
Hazard Symbols:	Xi
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	80.04000
LogP:	2.36850

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Specification

The 1,2,3-Thiadiazol-5-amine,4-phenyl-, with the CAS registry number 78301-72-1, has the systematic name of 4-phenyl-1,2,3-thiadiazol-5-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₇N₃S.

The characteristics of 1,2,3-Thiadiazol-5-amine,4-phenyl- are as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.27; (6)ACD/BCF (pH 7.4): 5.27; (7)ACD/KOC (pH 5.5): 114.37; (8)ACD/KOC (pH 7.4): 114.37; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.26 Å²; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 49.64 cm³; (15)Molar Volume: 132.9 cm³; (16)Polarizability: 19.68×10^-24cm³; (17)Surface Tension: 65.3 dyne/cm; (18)Density: 1.333 g/cm³; (19)Flash Point: 160.3 °C; (20)Enthalpy of Vaporization: 58.51 kJ/mol; (21)Boiling Point: 341.4 °C at 760 mmHg; (22)Vapour Pressure: 8.05E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1nsc(c1c2ccccc2)N
(2)InChI: InChI=1/C8H7N3S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H,9H2
(3)InChIKey: VPHYLVGCMWSAEJ-UHFFFAOYAB