1,3,4-Thiadiazole-2(3H)-thione,5-[(2-methoxyphenyl)amino]- supplier

Name
5-(2-METHOXY-PHENYLAMINO)-[1,3,4]THIADIAZOLE-2-THIOL
EINECS
CAS No. 52494-33-4
Article Data3
CAS DataBase
Density 1.46g/cm³
Solubility
Melting Point 198 °C(Solv: ethanol (64-17-5))
Formula C₉H₉N₃OS₂
Boiling Point 355.4 °C at 760 mmHg
Molecular Weight 239.3173
Flash Point 168.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(2-Methoxyanilino)-1,3,4-thiadiazol-2-ylthiol;5-o-Anisidino-1,3,4-thiadiazole-2-thiol;NSC 246974;
PSA 110.27000
LogP 3.02590

1,3,4-Thiadiazole-2(3H)-thione,5-[(2-methoxyphenyl)amino]- Specification

The 1,3,4-Thiadiazole-2(3H)-thione,5-[(2-methoxyphenyl)amino]-, with CAS registry number 52494-33-4, has the systematic name of 5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazole-2(3H)-thione. Besides this, it is also called 5-(2-Methoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol. And the chemical formula of this chemical is C₉H₉N₃OS₂.

Physical properties of 1,3,4-Thiadiazole-2(3H)-thione,5-[(2-methoxyphenyl)amino]-: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 8.94; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 92.9; (8)ACD/KOC (pH 7.4): 2.02; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 85.46 Å²; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 64.42 cm³; (15)Molar Volume: 163.4 cm³; (16)Polarizability: 25.54×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.46 g/cm³; (19)Flash Point: 168.7 °C; (20)Enthalpy of Vaporization: 60.05 kJ/mol; (21)Boiling Point: 355.4 °C at 760 mmHg; (22)Vapour Pressure: 3.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1S\C(=N/N1)Nc2c(OC)cccc2
(2)InChI: InChI=1/C9H9N3OS2/c1-13-7-5-3-2-4-6(7)10-8-11-12-9(14)15-8/h2-5H,1H3,(H,10,11)(H,12,14)
(3)InChIKey: YSTOHGZAZWZINJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H9N3OS2/c1-13-7-5-3-2-4-6(7)10-8-11-12-9(14)15-8/h2-5H,1H3,(H,10,11)(H,12,14)
(5)Std. InChIKey: YSTOHGZAZWZINJ-UHFFFAOYSA-N

Product Name

5-(2-METHOXY-PHENYLAMINO)-[1,3,4]THIADIAZOLE-2-THIOL

1,3,4-Thiadiazole-2(3H)-thione,5-[(2-methoxyphenyl)amino]- Specification

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