2-sulfanyl-5-(trifluoromethoxy)phenol

C7H5F3O2S — CID 149461139

IUPAC2-sulfanyl-5-(trifluoromethoxy)phenol
SMILESOc1cc(OC(F)(F)F)ccc1S
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)12-4-1-2-6(13)5(11)3-4/h1-3,11,13H
InChIKeyYZNNNFZUANGMGN-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.58
Rot. Bonds1

About 2-sulfanyl-5-(trifluoromethoxy)phenol

2-sulfanyl-5-(trifluoromethoxy)phenol (PubChem CID 149461139) has the molecular formula C7H5F3O2S and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-sulfanyl-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-sulfanyl-5-(trifluoromethoxy)phenol
PubChem CID149461139
Molecular FormulaC7H5F3O2S
Molecular Weight210.18 g/mol
Exact Mass210.00
IUPAC Name2-sulfanyl-5-(trifluoromethoxy)phenol
SMILESOc1cc(OC(F)(F)F)ccc1S
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)12-4-1-2-6(13)5(11)3-4/h1-3,11,13H
InChIKeyYZNNNFZUANGMGN-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-5-(trifluoromethoxy)phenol?
The IUPAC name of 2-sulfanyl-5-(trifluoromethoxy)phenol (CID 149461139) is 2-sulfanyl-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-sulfanyl-5-(trifluoromethoxy)phenol?
The canonical SMILES for 2-sulfanyl-5-(trifluoromethoxy)phenol is Oc1cc(OC(F)(F)F)ccc1S.
What is the InChIKey of 2-sulfanyl-5-(trifluoromethoxy)phenol?
The InChIKey is YZNNNFZUANGMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S/c8-7(9,10)12-4-1-2-6(13)5(11)3-4/h1-3,11,13H.
What are the key properties of 2-sulfanyl-5-(trifluoromethoxy)phenol?
2-sulfanyl-5-(trifluoromethoxy)phenol has a molecular weight of 210.18 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 149461139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).