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HomeProduct name list4-PHENYL-1,2,3-THIADIAZOLE

4-PHENYL-1,2,3-THIADIAZOLE

  • CAS NO.:25445-77-6
  • Empirical Formula: C8H6N2S
  • Molecular Weight: 162.21
  • MDL number: MFCD00087232
  • EINECS: 636-735-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-05-21 10:59:17
4-PHENYL-1,2,3-THIADIAZOLE Structural

What is 4-PHENYL-1,2,3-THIADIAZOLE?

Description

Cytochrome P450 (CYP450) enzymes are a superfamily of oxidative catalysts important in the biosynthesis and metabolism of a wide range of endogenous molecules as well as the metabolism of xenobiotics. For example, CYP2B4 metabolizes substituted amines, CYP2E1 metabolizes various alcohols and halogenated alkenes, and CYP1A2 catalyzes the oxygenation of aromatic compounds and polycyclic hydrocarbons. 4-phenyl-1,2,3-Thiadiazole is, at 100 μM, a selective inhibitor of certain CYP450 enzymes (CYP2B4, CYP2E1), but not others (CYP1A2), with inactivation occurring in a mechanism-based manner. 1,2,3-Thiadiazole compounds and their derivatives, including 4-phenyl-1,2,3-thiadiazole, are also commonly used as fungicides, herbicides, and plant growth regulators.

Chemical properties

Off-white to light brown solid

Synthesis Reference(s)

Journal of Medicinal Chemistry, 28, p. 442, 1985 DOI: 10.1021/jm00382a009

Properties of 4-PHENYL-1,2,3-THIADIAZOLE

Melting point: 78°C
Boiling point: 100°C 1,5mm
Density  1.241±0.06 g/cm3(Predicted)
Flash point: 100°C/1.5mm
storage temp.  Store at -20°C
solubility  DMF: 3 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
form  A crystalline solid
pka -4.23±0.22(Predicted)
BRN  119480

Safety information for 4-PHENYL-1,2,3-THIADIAZOLE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 4-PHENYL-1,2,3-THIADIAZOLE

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