2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione

Basic Information

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CAS Number

17796-82-6

Molecular Formula

C14H15NO2S

Molecular Weight

261.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

90.0 to 93.0 deg-C

Boiling Point

422.6±28.0 °C at 760 mmHg

Flash Point

209.4±24.0 °C

Refractive Index

1.7500 (estimate)

SMILES

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C1CCC(CC1)SN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2

InChIKey

UEZWYKZHXASYJN-UHFFFAOYSA-N

LogP

3.2635000000000023

Topological Polar Surface Area

37.38 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

328

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Synonyms & References

English

Oprea1_037917
CAS-17796-82-6
2-(cyclohexylthio)isoindoline-1,3-quinone
Santogard PVI-DS
CS-0155316
cid_28777
Phthalimide, N-(cyclohexylthio)-
BDBM88574
2-(cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione
SCHEMBL79946
UEZWYKZHXASYJN-UHFFFAOYSA-N
50Z9596NJ3
Santogard PVI
CHEMBL1532794
regid3714947
1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-
SR-01000032502
InChI=1/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
MFCD00072247
NCGC00257252-01
Cyclohexyl N-Phthalimidyl Sulfide
HMS1725M16
UNII-50Z9596NJ3
SMR000066211
BRN 0613992
CCRIS 8493
W-107824
N-(CYCLOHEXYLTHIO)PHTHALIMIDE [HSDB]
NS00006229
SR-01000032502-1
HMS2191K11

MDL Number

MFCD00072247

Customs Code

2930909090

FAQ

What is 2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione (CAS: 17796-82-6)?

2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione is a colorless to slightly yellow solid with a molecular formula of C14H18O2S. It is characterized by its odorless or slightly aromatic smell and is used in a variety of applications due to its unique chemical properties.

What are the main uses of 2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione (CAS: 17796-82-6)?

2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the research and development of new materials and as a reagent in chemical synthesis.

Is 2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione (CAS: 17796-82-6) safe?

2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione is generally safe when handled according to safety guidelines. It is classified as a low toxicity chemical. However, it is important to avoid contact with skin and eyes and to handle it in a well-ventilated area. Protective gloves and safety glasses should be worn during handling.

How should 2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione (CAS: 17796-82-6) be stored?

2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. The storage temperature should not exceed 25°C (77°F) to ensure its stability.