(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide | CAS No. 368421-58-3

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide

Basic Information

CAS Number

368421-58-3

Molecular Formula

C13H14F2N4OS

Molecular Weight

312.34 g/mol

AD

Basic Physical Properties

Boiling Point

536.4±60.0°C at 760 mmHg

S=C(N)[C@H](C)[C@@](O)(C1=CC(F)=CC=C1F)CN2N=CN=C2

InChI

InChI=1S/C13H14F2N4OS/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-4-9(14)2-3-11(10)15/h2-4,6-8,20H,5H2,1H3,(H2,16,21)/t8-,13+/m0/s1

InChIKey

UWVOPVUWKIHGRF-ISVAXAHUSA-N

LogP

1.3663

Topological Polar Surface Area

76.96 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

389

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
  • (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide
  • 1H-1,2,4-Triazole-1-butanethioamide, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βR)-
  • Isavuconazole intermediate 8
  • (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide
  • UWVOPVUWKIHGRF-ISVAXAHUSA-N
  • 1H-1,2,4-Triazole-1-butanethioamide,
  • A-(2,5-difluo
  • (2R,3R)-3-(2,5-Difluoro-phenyl)-3-
  • (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide

MDL Number

MFCD28404611

FAQ

What is (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide (CAS: 368421-58-3)?

This compound, with the CAS number 368421-58-3, is a thiourea derivative containing a 1H-1,2,4-triazole ring. It has the molecular formula C11H12F2N4O S and is known for its complex structure featuring multiple functional groups including hydroxy, methyl, and difluoro substituents. It is typically used in specialized chemical applications due to its reactivity and potential biological activity.

What are the main uses of (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide (CAS: 368421-58-3)?

This compound is primarily used in pharmaceutical research for its potential as a bioactive agent. It may serve as a scaffold for drug development due to its structural features. Additionally, it is used in organic synthesis and chemical research for its reactivity and ability to form various derivatives. Its applications are largely limited to specialized laboratories and research settings.

Is (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide (CAS: 368421-58-3) safe?

Safety of this compound is primarily determined by its handling and usage conditions. It should be treated with care as it may have potential toxicity, especially with prolonged exposure. Protective measures such as gloves, goggles, and proper ventilation are recommended. Always follow safety guidelines and regulations when working with this compound, as it is not considered safe for general use without appropriate precautions.

How should (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide (CAS: 368421-58-3) be stored?

This compound should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and light. Proper storage conditions help preserve its chemical integrity and prevent degradation. Always store it in a well-ventilated area and follow standard chemical storage protocols.

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