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: 2026-06-12 08:45:15

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)	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.