S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate

C7H3F5OS2 — CID 91709421

IUPACS-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate
SMILESO=C(Sc1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5OS2/c8-6(9,7(10,11)12)5(13)15-4-2-1-3-14-4/h1-3H
InChIKeySDOGABPQQTWWHM-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.56
Rot. Bonds2

About S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate

S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate (PubChem CID 91709421) has the molecular formula C7H3F5OS2 and a molecular weight of 262.22 g/mol. Its IUPAC name is S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate.

Molecular Properties

Compound NameS-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate
PubChem CID91709421
Molecular FormulaC7H3F5OS2
Molecular Weight262.22 g/mol
Exact Mass261.95
IUPAC NameS-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate
SMILESO=C(Sc1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F5OS2/c8-6(9,7(10,11)12)5(13)15-4-2-1-3-14-4/h1-3H
InChIKeySDOGABPQQTWWHM-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate?
The IUPAC name of S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate (CID 91709421) is S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate.
What is the SMILES notation for S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate?
The canonical SMILES for S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate is O=C(Sc1cccs1)C(F)(F)C(F)(F)F.
What is the InChIKey of S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate?
The InChIKey is SDOGABPQQTWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5OS2/c8-6(9,7(10,11)12)5(13)15-4-2-1-3-14-4/h1-3H.
What are the key properties of S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate?
S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate has a molecular weight of 262.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-thiophen-2-yl 2,2,3,3,3-pentafluoropropanethioate is sourced from PubChem (CID 91709421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).