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2,5-Dimethyl-2,5-dihdroxy-p-dithiane Details

: IUPAC Name
2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
:Chemical Class
Alkane
:CAS Registry Number
:Description

:Fragrance Type
herbal like

Physical and Chemical properties

PUBCHEM ID62105
Molecular Weight (mg/mol)180.294
Molecular FormulaC6H12O2S2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
IUPAC Name2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
Canonical SMILESCC1(O)CSC(C)(O)CS1
PUBCHEM IUPAC INCHIKEYNHKIYYMFGJBOTK-OLQVQODUSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.426
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD503.75069
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2,5-Dimethyl-2,5-dihdroxy-p-dithiane

Compound Image


2D Structure

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