3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol

• ChemBase ID: 100204
• Molecular Formular: C10H5F17S
• Molecular Mass: 480.1845544
• Monoisotopic Mass: 479.9840509
• SMILES: SCCC(C(F)(C(F)(F)C(F)(C(C(C(F)(C(F)(F)F)F)(F)F)(F)F)F)F)(F)F
• Canonical SMILES: SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F17S/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
• InChIKey: URJIJZCEKHSLHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol
• Synonyms: 2-(Perfluorooct-1-yl)ethane-1-thiol; 1H,1H,2H,2H-Perfluorodecane-1-thiol 99%; 1H,1H,2H,2H-Perfluoro-1-decanethiol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanethiol; 1H,1H,2H,2H-Perfluorodecanethiol; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanethiol; 1H,1H,2H,2H-全氟-1-癸硫醇; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟-1-癸硫醇; 1H,1H,2H,2H-全氟癸硫醇; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟-1-癸硫醇

Database IDs

• CAS Number: 34143-74-3
• MDL Number: MFCD00792429
• PubChem SID: 162086273; 24884478; 24846214
• PubChem CID: 542755

CALCULATED PROPERTIES

• Acid pKa: 10.145332
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 6.8626814
• LogD (pH = 7.4): 6.861967
• Log P: 6.8626904
• Molar Refractivity: 56.8678 cm^3
• Polarizability: 21.970049 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 15 °C; 15°C
• Boiling Point: 82 °C/12 mmHg; 82°C/12mm
• Flash Point: >110 °C; >230 °F; 110°C
• Density: 1.64; 1.678 g/mL at 25 °C
• Refractive Index: 1.333; n20/D 1.333

Safety Information

• Storage Warning: Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥96.0%; 97%
• Linear Formula: CF3(CF2)7CH2CH2SH

DETAILS

Sigma Aldrich - 660493

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 08686

Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.