2-sulfanyl-5-(trifluoromethyl)phenol

C7H5F3OS — CID 130035062

IUPAC2-sulfanyl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1S
InChIInChI=1S/C7H5F3OS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,11-12H
InChIKeyWNUKBFRARWBPII-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.70
Rot. Bonds

About 2-sulfanyl-5-(trifluoromethyl)phenol

2-sulfanyl-5-(trifluoromethyl)phenol (PubChem CID 130035062) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-sulfanyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-sulfanyl-5-(trifluoromethyl)phenol
PubChem CID130035062
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name2-sulfanyl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1S
InChIInChI=1S/C7H5F3OS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,11-12H
InChIKeyWNUKBFRARWBPII-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117295401
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2-amino-4-(trichloromethyl)benzenethiol;2-sulfanyl-5-(trichloromethyl)phenol
CID 175295518
2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
CID 162619024
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-sulfanyl-3,5-bis(trifluoromethyl)phenol
CID 119023054
2-amino-4-(trifluoromethyl)benzenethiol;hydron;chloride
CID 51064124
2-[(E)-but-2-en-2-yl]-4-(trifluoromethyl)benzenethiol
CID 146667902

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-sulfanyl-5-(trifluoromethyl)phenol (CID 130035062) is 2-sulfanyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-sulfanyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-sulfanyl-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1S.
What is the InChIKey of 2-sulfanyl-5-(trifluoromethyl)phenol?
The InChIKey is WNUKBFRARWBPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,11-12H.
What are the key properties of 2-sulfanyl-5-(trifluoromethyl)phenol?
2-sulfanyl-5-(trifluoromethyl)phenol has a molecular weight of 194.18 g/mol, XLogP of 2.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 130035062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).