Name: Name:(4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane
Brand: AABLOCKS
SKU: AA002L19
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002L19

Chemical Name: (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane

CAS Number: 21101-63-3

Molecular Formula: C8H6BrF3S

Molecular Weight: 271.0974

MDL Number: MFCD00129189

SMILES: BrCc1ccc(cc1)SC(F)(F)F

Properties

Form: Solid

MP: 53-57℃ (lit.)

Storage: Inert atmosphere;Room Temperature;

Complexity: 152

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4.2

Downstream Synthesis Route

352-68-1

21101-63-3

[1]Kolycheva,M.T.;Yagupol'skii,Yu.L.;Gerus,I.I.;Godunova,L.F.;Kukhar,V.P.[JournalofOrganicChemistryUSSR(EnglishTranslation),1989,vol.25,#6.2,p.1174-1179][ZhurnalOrganicheskoiKhimii,1989,vol.25,#6,p.1306-1311]

[2]Orda,V.V.etal.[JournalofgeneralchemistryoftheUSSR,1965,vol.35,p.1631-1637][ZhurnalObshcheiKhimii,1965,vol.35,p.1628-1636]

[3]Marenets,M.S.etal.[Sovietprogressinchemistry,1968,vol.34,#9,p.60-62][UkrainskiiKhimicheskiiZhurnal(RussianEdition),1968,vol.34,#9,p.938-940]

[4]Kees,KennethL.;FitzgeraldJr.,JohnJ.;Steiner,KurtE.;Mattes,JamesF.;Mihan,Brenda;Tosi,Theresa;Mondoro,Diane;McCaleb,MichaelL.[JournalofMedicinalChemistry,1996,vol.39,#20,p.3920-3928]

[5]CurrentPatentAssignee:UNIVERSITYOFCALIFORNIA;GLAXOSMITHKLINEPLC-US5502073,1996,A

[6]CurrentPatentAssignee:PFIZERINC-US4178460,1979,A

[7]CurrentPatentAssignee:PFIZERINC-US4199595,1980,A

21101-63-3

151-50-8

70124-90-2

[1]Orda,V.V.etal.[JournalofgeneralchemistryoftheUSSR,1965,vol.35,p.1631-1637][ZhurnalObshcheiKhimii,1965,vol.35,p.1628-1636]

6326-44-9

21101-63-3

126300-87-6

[1]Kolycheva,M.T.;Yagupol'skii,Yu.L.;Gerus,I.I.;Godunova,L.F.;Kukhar,V.P.[JournalofOrganicChemistryUSSR(EnglishTranslation),1989,vol.25,#6.2,p.1174-1179][ZhurnalOrganicheskoiKhimii,1989,vol.25,#6,p.1306-1311]

100-97-0

21101-63-3

1-(4-Trifluoromethylsulfanyl-benzyl)-3,5,7-triaza-1-azonia-tricyclo3.3.1.13,7decane;bromide

[1]Kolycheva,M.T.;Gerus,I.I.;Kukhar,V.P.[JournalofOrganicChemistryUSSR(EnglishTranslation),1989,vol.25,#11.2,p.2134-2138][ZhurnalOrganicheskoiKhimii,1989,vol.25,#11,p.2367-2372]

21101-63-3

4021-50-5

[1]Marenets,M.S.etal.[Sovietprogressinchemistry,1968,vol.34,#9,p.60-62][UkrainskiiKhimicheskiiZhurnal(RussianEdition),1968,vol.34,#9,p.938-940]

21101-63-3 | (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane