1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea

Basic Information

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CAS Number

80060-09-9

Molecular Formula

C23H32N2OS

Molecular Weight

384.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

144.6-147.7 ºC

Boiling Point

448.8 °C at 760 mmHg

Density

1.0367 (rough estimate)

Refractive Index

1.5950 (estimate)

SMILES

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CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2

InChI

InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)

InChIKey

WOWBFOBYOAGEEA-UHFFFAOYSA-N

LogP

6.810600000000006

Topological Polar Surface Area

33.29 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

448

Safety Information

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GHS Hazard Pictograms

H332

Hazard Statement

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 in rats (mg/kg): 2068 orally; >2000 dermally; LC50 (14 hr) in rats: 558 mg/m3 by inhalation (Streibert, 1988)

Synonyms & References

English

CGA 106630
1-(tert-Butyl)-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea
Diafenthiuron [ISO]
DTXSID1041845
AKOS015895255
UNII-22W5MDB01G
C18781
NS00002975
Diafenthiuron, PESTANAL(R), analytical standard
D5963
Thiourea,N-[2,6-bis(1-methylethyl)-4-phenoxyphenyl]-N'-(1,1-dimethylethyl)-
CS-0129000
FT-0603093
80060-09-9
Pegasus
MS-26336
Thiourea, N-(2,6-bis(1-methylethyl)-4-phenoxyphenyl)-N'-(1,1-dimethylethyl)-
3-(2,6-Diisopropyl-4-phenoxyphenyl)-1-tert-butylthiourea
AcetoaceticAcid
A839826
Polo
SCHEMBL27926
HY-136394
Diafenthiuron 100 microg/mL in Acetonitrile
1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea
N-(2,6-Bis(1-methylethyl)-4-phenoxyphenyl)-N'-(1,1-dimethylethyl)thiourea
Diafenthiuron
1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
CG 167
Pegasus (pesticide)
Q15632894

MDL Number

MFCD01311814

Customs Code

2930909053

FAQ

What is 1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9)?

1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9) is an organic compound commonly used in chemical research. It contains a thiourea functional group and is characterized by its complex aromatic structure. The compound is known for its stability under normal conditions and is often employed as a building block in the synthesis of various pharmaceutical and industrial compounds.

What are the main uses of 1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9)?

1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9) is primarily used in pharmaceutical research for drug development, particularly in the creation of compounds with biological activity. It also finds applications in organic synthesis, materials science, and as an intermediate in the production of specialty chemicals. Its unique molecular structure makes it valuable in the design of molecules for medicinal and industrial purposes.

Is 1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9) safe?

The safety of 1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9) depends on its application and exposure conditions. It is generally considered safe when handled properly in controlled environments. However, standard safety precautions such as wearing protective gloves, goggles, and lab coats are advised. Avoid inhalation and skin contact, and follow OSHA and EPA guidelines for chemical handling.

How should 1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9) be stored?

1-(2,6-Diisopropyl-4-phenoxyphenyl)-3-(2-methyl-2-propanyl)thiourea (CAS: 80060-09-9) should be stored in a cool, dry, and well-ventilated area away from direct sunlight. Keep it in a sealed container, preferably made of glass or high-density polyethylene, to prevent moisture and contamination. Maintain storage temperature below 25°C and ensure humidity levels are controlled to preserve its stability and integrity.