2-methoxy-6-(trifluoromethyl)benzenethiol

C8H7F3OS — CID 18417566

IUPAC2-methoxy-6-(trifluoromethyl)benzenethiol
SMILESCOc1cccc(C(F)(F)F)c1S
InChIInChI=1S/C8H7F3OS/c1-12-6-4-2-3-5(7(6)13)8(9,10)11/h2-4,13H,1H3
InChIKeyAAIXVXBWRASJMU-UHFFFAOYSA-N
MW208.20 g/mol
LogP3.00
Rot. Bonds1

About 2-methoxy-6-(trifluoromethyl)benzenethiol

2-methoxy-6-(trifluoromethyl)benzenethiol (PubChem CID 18417566) has the molecular formula C8H7F3OS and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-methoxy-6-(trifluoromethyl)benzenethiol.

Molecular Properties

Compound Name2-methoxy-6-(trifluoromethyl)benzenethiol
PubChem CID18417566
Molecular FormulaC8H7F3OS
Molecular Weight208.20 g/mol
Exact Mass208.02
IUPAC Name2-methoxy-6-(trifluoromethyl)benzenethiol
SMILESCOc1cccc(C(F)(F)F)c1S
InChIInChI=1S/C8H7F3OS/c1-12-6-4-2-3-5(7(6)13)8(9,10)11/h2-4,13H,1H3
InChIKeyAAIXVXBWRASJMU-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
2-isocyanato-1-methoxy-3-(trifluoromethyl)benzene
CID 170997128
2-chloro-6-methoxybenzenethiol
CID 91874124
2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 171367695
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
2-(oxan-2-yloxy)-6-(trifluoromethyl)benzenethiol
CID 141392854
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
3-[2-methoxy-6-(trifluoromethyl)phenyl]butan-1-amine
CID 117370072
N-hydroxy-N'-[2-methoxy-6-(trifluoromethyl)phenyl]methanimidamide
CID 20763465
3-[2-methoxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869157

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(trifluoromethyl)benzenethiol?
The IUPAC name of 2-methoxy-6-(trifluoromethyl)benzenethiol (CID 18417566) is 2-methoxy-6-(trifluoromethyl)benzenethiol.
What is the SMILES notation for 2-methoxy-6-(trifluoromethyl)benzenethiol?
The canonical SMILES for 2-methoxy-6-(trifluoromethyl)benzenethiol is COc1cccc(C(F)(F)F)c1S.
What is the InChIKey of 2-methoxy-6-(trifluoromethyl)benzenethiol?
The InChIKey is AAIXVXBWRASJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3OS/c1-12-6-4-2-3-5(7(6)13)8(9,10)11/h2-4,13H,1H3.
What are the key properties of 2-methoxy-6-(trifluoromethyl)benzenethiol?
2-methoxy-6-(trifluoromethyl)benzenethiol has a molecular weight of 208.20 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(trifluoromethyl)benzenethiol is sourced from PubChem (CID 18417566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).