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Structure

1H,1H,2H,2H-Perfluorodecanethiol

CAS
34143-74-3
Catalog Number
ACM34143743
Category
Biomaterials
Molecular Weight
480.19g/mol
Molecular Formula
C10H5F17S

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Specification

Synonyms
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORO-1-DECANETHIOL;1H,1H,2H,2H-PERFLUORODECANE-1-THIOL;1H,1H,2H,2H-PERFLUORODECANETHIOL;1H,1H,2H,2H-PERFLUORODECYL-1-THIOL;1H,1H,2H,2H-PERFLUORO-1-DECANETHIOL;1H,1H,2H,2H-Perfluorodecanethiol 99%;1H,1H,2H,2H
IUPAC Name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol
Canonical SMILES
C(CS)C(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
InChI Key
URJIJZCEKHSLHA-UHFFFAOYSA-N
Complexity
559
Covalently-Bonded Unit Count
1
Exact Mass
479.98405g/mol
Formal Charge
0
H-Bond Acceptor
18
H-Bond Donor
1
Heavy Atom Count
28
Monoisotopic Mass
479.98405g/mol
Rotatable Bond Count
8
UNII
7D5R6U82KA
XLogP3
6.7
What is the molecular formula of 1H,1H,2H,2H-Perfluorodecanethiol?

The molecular formula is C8F17CH2CH2SH.

What is the molecular weight of 1H,1H,2H,2H-Perfluorodecanethiol?

The molecular weight is 480.19 g/mol.

What is the IUPAC name of 1H,1H,2H,2H-Perfluorodecanethiol?

The IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol.

What is the InChI of 1H,1H,2H,2H-Perfluorodecanethiol?

The InChI is 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.

What is the InChIKey of 1H,1H,2H,2H-Perfluorodecanethiol?

The InChIKey is URJIJZCEKHSLHA-UHFFFAOYSA-N.

What is the canonical SMILES of 1H,1H,2H,2H-Perfluorodecanethiol?

The canonical SMILES is C(CS)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.

What is the CAS number of 1H,1H,2H,2H-Perfluorodecanethiol?

The CAS number is 34143-74-3.

What is the European Community (EC) number of 1H,1H,2H,2H-Perfluorodecanethiol?

The European Community (EC) number is 629-356-0.

What is the UNII of 1H,1H,2H,2H-Perfluorodecanethiol?

The UNII is 7D5R6U82KA.

What is the topological polar surface area of 1H,1H,2H,2H-Perfluorodecanethiol?

The topological polar surface area is 1Ų.

Downstream Synthesis Route 1

  • 34143-74-3
  • 105-39-5
  • 87851-88-5

Reference: [1]Diouf, Alioune; Taffin De Givenchy, Elisabeth; Dieng, Samba Yandé; Dramé, Abdoulaye; Amigoni, Sonia; Darmanin, Thierry; Guittard, Frédéric
[Journal of Fluorine Chemistry, 2014, vol. 161, p. 60 - 65]
[2]Dieng,S.; Bertaina,B.
[Journal of Fluorine Chemistry, 1985, vol. 28, p. 425]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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