1,3,4-Thiadiazole-2(3H)-thione,5-[[[3-(trifluoromethyl)phenyl]methyl]thio]- supplier

Name
5-[3-(TRIFLUOROMETHYL)BENZYLTHIO]-1,3,4-THIADIAZOLE-2-THIOL
EINECS
CAS No. 175277-94-8
Density 1.55 g/cm³
Solubility
Melting Point 140 °C
Formula C₁₀H₇F₃N₂S₃
Boiling Point 357.5 °C at 760 mmHg
Molecular Weight 308.37
Flash Point 170 °C
Transport Information
Appearance
Safety 22-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 5-{[3-(Trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole-2-thiol;
PSA 118.12000
LogP 4.13790

1,3,4-Thiadiazole-2(3H)-thione,5-[[[3-(trifluoromethyl)phenyl]methyl]thio]- Specification

The 1,3,4-Thiadiazole-2(3H)-thione,5-[[[3-(trifluoromethyl)phenyl]methyl]thio]-, with the CAS registry number 175277-94-8, is also known as 5-{[3-(Trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole-2-thiol. This chemical's molecular formula is C₁₀H₇F₃N₂S₃ and molecular weight is 308.37. What's more, its systematic name is 5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole-2(3H)-thione.

Physical properties about 1,3,4-Thiadiazole-2(3H)-thione,5-[[[3-(trifluoromethyl)phenyl]methyl]thio]- are: (1)ACD/LogP: 3.12; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 56.49; (5)ACD/BCF (pH 7.4): 2.54; (6)ACD/KOC (pH 5.5): 483.96; (7)ACD/KOC (pH 7.4): 21.72; (8)H bond acceptors: 2; (9)H bond donors: 1; (10)Freely Rotating Bonds: 3; (11)Polar Surface Area: 98.29 Å²; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 72.73 cm³; (14)Molar Volume: 197.8 cm³; (15)Polarizability: 28.83×10^-24cm³; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.55 g/cm³; (18)Flash Point: 170 °C; (19)Enthalpy of Vaporization: 60.29 kJ/mol; (20)Boiling Point: 357.5 °C at 760 mmHg; (21)Vapour Pressure: 2.71×10^-5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES:S=C2SC(\SCc1cccc(c1)C(F)(F)F)=N/N2CopyCopied;
(2)InChI:InChI=1/C10H7F3N2S3/c11-10(12,13)7-3-1-2-6(4-7)5-17-9-15-14-8(16)18-9/h1-4H,5H2,(H,14,16) CopyCopied;
(3)InChIKey:GYRMUGAZBJIPHZ-UHFFFAOYAO.

Product Name

5-[3-(TRIFLUOROMETHYL)BENZYLTHIO]-1,3,4-THIADIAZOLE-2-THIOL

1,3,4-Thiadiazole-2(3H)-thione,5-[[[3-(trifluoromethyl)phenyl]methyl]thio]- Specification

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