Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(trifluoromethyl)-

Related Products

Hot Products

Name

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(trifluoromethyl)-

EINECS 250-288-9
CAS No. 30682-81-6 Density 1.65 g/cm3
PSA 65.70000 LogP 1.49650
Solubility N/A Melting Point 116-118 °C
Formula C4H4F3N3S Boiling Point 106.1 °C at 760 mmHg
Molecular Weight 183.157 Flash Point 18 °C
Transport Information N/A Appearance Light yellow crystalline powder
Safety 36/37/39-26-22-16 24 25 Risk Codes 36/37/38-11
Molecular Structure Molecular Structure of 30682-81-6 (4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE) Hazard Symbols IrritantXi
Synonyms

D2-1,2,4-Triazoline-5-thione,4-methyl-3-(trifluoromethyl)- (8CI);4-Methyl-5-trifluoromethyl-3-mercapto-1,2,4-triazole;4-Methyl-5-trifluoromethyl-4H-[1,2,4]triazole-3-thiol;4-Methyl-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione;4-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;

Article Data 7

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(trifluoromethyl)- Specification

The 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(trifluoromethyl)-, with the CAS registry number 30682-81-6, is also known as 4-Methyl-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione. Its EINECS number is 250-288-9. This chemical's molecular formula is C4H4F3N3S and molecular weight is 183.15. What's more, its systematic name is 4-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. The product is stable at room temperature and pressure, and it should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. Besides, it should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(trifluoromethyl)- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.14; (8)ACD/KOC (pH 7.4): 5.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.93 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 35.77 cm3; (15)Molar Volume: 110.4 cm3; (16)Polarizability: 14.18×10-24 cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 1.65 g/cm3; (19)Flash Point: 18 °C; (20)Enthalpy of Vaporization: 34.5 kJ/mol; (21)Boiling Point: 106.1 °C at 760 mmHg; (22)Vapour Pressure: 28.7 mmHg at 25°C.

Uses of 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(trifluoromethyl)-: it can be used to produce 3-({(2R,3S)-3-[(tert-butoxycarbonyl)-amino]-4-cyclohexyl-2-hydroxy-1-butyl}thio)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole at the ambient temperature. It will need reagent 1M SnCl4 and solvent CCl4 with the reaction time of 1 hour. The yield is about 65%.

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(trifluoromethyl)- can be used to produce 3-({(2R,3S)-3-[(tert-butoxycarbonyl)-amino]-4-cyclohexyl-2-hydroxy-1-butyl}thio)-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. What's more, you can't breathe dust and you should also keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=NNC1=S)C(F)(F)F
(2)InChI: InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)
(3)InChIKey: HUZASKHMPBJXJP-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 30682-81-6