S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methane­sul­fonate CAS 1107606-68-7

• Iden­ti­fi­ca­tion
• Prop­er­ties
• Safe­ty Data
• Spec­i­fi­ca­tions & Oth­er Information
• Links
• Quick Inquiry

Iden­ti­fi­ca­tion

CAS Number

1107606-68-7

Name

S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methane­sul­fonate

Syn­onyms

1107606-68-7 [RN]
32137045 [Beil­stein]
4,4,5,5,5-Pentafluoropentyl car­bamimi­doth­ioate [ACD/IUPAC Name]
4,4,5,5,5-Pentafluoropentyl car­bamimi­doth­ioate methane­sul­fonate [ACD/IUPAC Name]
4,4,5,5,5-Pentafluoropentyl car­bamimi­doth­ioate methane­sul­fonate (1:1) [ACD/IUPAC Name]
Acide méthane­sul­fonique – car­bamimi­doth­ioate de 4,4,5,5,5-pentafluoropentyle (1:1) [French] [ACD/IUPAC Name]
Car­bamimi­doth­ioic acid, 4,4,5,5,5-pentafluoropentyl ester, methane­sul­fonate (1:1) [ACD/​Index Name]
Methane­sul­fon­ic acid [ACD/​Index Name] [ACD/IUPAC Name] [Wiki]
Methansul­fon­säure –4,4,5,5,5-pentafluorpentylcarbamimidothioat (1:1) [Ger­man] [ACD/IUPAC Name]
MUYZS3XFFXFFF &&MeSO3H [WLN]
MFCD22423109 [MDL number]

SMILES

CS(=O)(=O)O.C(CC(C(F)(F)F)(F)F)CSC(=N)N

Std­InChI

InChI=1S/C6H9F5N2S.CH4O3S/c7-5(8,6(9,10)11)2-1-3-14-4(12)13;1-5(2,3)4/h1-3H2,(H3,12,13);1H3,(H,2,3,4)

Std­InChIKey

GUWMK­WXF­P­K­CYQI-UHF­F­­FAOYSA-N

Mol­e­c­u­lar Formula

C₇H₁₃F₅N₂O₃S₂

Mol­e­c­u­lar Weight

332.312

Beil­stein Reg­istry Number

32137045

MDL Number

MFCD22423109

Prop­er­ties

Appear­ance

White pow­der

Safe­ty Data

Sym­bol

GHS07

Sig­nal Word

Warn­ing

Haz­ard statements

Pre­cau­tion­ary Statements

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methane­sul­fonate CAS 

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

98% min

Shelf Life

2 years

Stor­age

Under room tem­per­a­ture away from light

Known Appli­ca­tion

Com­mon­ly used as an inter­me­di­ate for the estro­gen recep­tor antag­o­nist fulvestrant.

Links

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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