CAS 180802-01-1|Bis[(2H5)phenyl] sulfide

Introduction:Basic information about CAS 180802-01-1|Bis[(2H5)phenyl] sulfide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameBis[(2H5)phenyl] sulfide
CAS Number180802-01-1Molecular Weight196.334
Density1.1±0.1 g/cm3Boiling Point296.0±9.0 °C at 760 mmHg
Molecular FormulaC12D10SMelting Point-40ºC(lit.)
MSDSChineseUSAFlash Point128.4±15.4 °C
Symbol
GHS07, GHS09
Signal WordWarning

Names

Name1,2,3,4,5-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)sulfanylbenzene
SynonymMore Synonyms

Bis[(2H5)phenyl] sulfide BiologicalActivity

DescriptionDiphenylsulfane-d1 is the deuterium labeled Diphenylsulfane[1].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
In VitroStable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point296.0±9.0 °C at 760 mmHg
Melting Point-40ºC(lit.)
Molecular FormulaC12D10S
Molecular Weight196.334
Flash Point128.4±15.4 °C
Exact Mass196.113083
PSA25.30000
LogP4.45
Vapour Pressure0.0±0.6 mmHg at 25°C
Index of Refraction1.642
InChIKeyLTYMSROWYAPPGB-LHNTUAQVSA-N
SMILESc1ccc(Sc2ccccc2)cc1

Safety Information

Symbol
GHS07, GHS09
Signal WordWarning
Hazard StatementsH302-H315-H400
Precautionary StatementsP273
Hazard CodesXn: Harmful;N: Dangerous for the environment;
Risk PhrasesR22
Safety PhrasesS23
RIDADRUN 3082 9/PG 3

Synonyms

1,1'-Sulfanediyldi(H)benzene
Benzene-d, 1,1'-thiobis-
Bis[(H)phenyl] sulfide
Diphenyl sulfide-d10
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