6,8-Bis(benzylthio)octanoic acid

Basic Information

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CAS Number

95809-78-2

Molecular Formula

C22H28O2S2

Molecular Weight

388.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

63-65 ºC

Density

1.149

Solubility

DMSO: soluble15mg/mL (clear solution)

SMILES

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C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)

InChIKey

ZYRLHJIMTROTBO-UHFFFAOYSA-N

LogP

6.256900000000006

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

363

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

CPI-613
6,8-Bis(benzylthio)octanoic Acid
6,8-Bis(benzylsulfanyl)octanoic acid
CPI 613
OCTANOIC ACID, 6,8-BIS[(PHENYLMETHYL)THIO]-
6,8-Bis[(phenylmethyl)thio]octanoic acid
Devimistat
AK174899
Octanoic acid, 6,8-bis((phenylmethyl)thio)-
MLS006010202
AOB1058
HMS3656L06
C22H28O2S2
BCP04663
s2776
BCP9000552
DB12109
SMR004701300
BCP0726000030
AB0035874
SW2202
6,8-Bis[(phenylmethyl)thio]octanoic acid (ACI)
Octanoic acid, 6,8-bis(benzylthio)- (6CI, 7CI)
6,8-Bis-benzylthio-octanoic acid
SML 0404
CPI-613?
DTXSID70914807
J-518174
AS-16613
6,8-BIS(BENZYLTHIO)OCTANOIC ACID, (+/-)-
6,8-bis(benzylthio)octanoicacid

MDL Number

MFCD22420826

FAQ

What is 6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2)?

6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2) is an organic compound with a molecular structure featuring two benzylthio groups attached to an octanoic acid backbone. It is a colorless to white solid and has a pungent odor. It is commonly used in research and pharmaceutical applications due to its unique chemical properties.

What are the main uses of 6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2)?

6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2) is primarily used in pharmaceutical research for the synthesis of various compounds and in the development of new drugs. It is also used in the chemical industry for the production of specific chemical intermediates and in the food industry as a flavoring agent.

Is 6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2) safe?

6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2) is generally considered safe when handled with proper precautions. However, it should be stored in a cool, dry place and away from direct sunlight. Skin contact and inhalation should be avoided, and appropriate personal protective equipment should be worn when handling the compound.

How should 6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2) be stored?

6,8-Bis(benzylthio)octanoic acid (CAS: 95809-78-2) should be stored in a cool, dry place with a temperature range of 15-25°C and away from direct sunlight. It should be kept in a tightly sealed container to prevent degradation. The storage area should be well-ventilated and away from sources of heat and incompatible materials.