1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene

C9H9F3O2S — CID 170999445

IUPAC1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
SMILESCOc1ccc(SC)cc1OC(F)(F)F
InChIInChI=1S/C9H9F3O2S/c1-13-7-4-3-6(15-2)5-8(7)14-9(10,11)12/h3-5H,1-2H3
InChIKeyLYACDVBTJFFCQS-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.32
Rot. Bonds3

About 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene

1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene (PubChem CID 170999445) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
PubChem CID170999445
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
SMILESCOc1ccc(SC)cc1OC(F)(F)F
InChIInChI=1S/C9H9F3O2S/c1-13-7-4-3-6(15-2)5-8(7)14-9(10,11)12/h3-5H,1-2H3
InChIKeyLYACDVBTJFFCQS-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 123833545
1-methyl-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999451
4-methylsulfanyl-2-(trifluoromethoxy)-1-(trifluoromethyl)benzene
CID 170999546
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]hydrazine
CID 151368533
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
2-methoxy-4-methylsulfanylphenol
CID 11423824
2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine
CID 117302166
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene (CID 170999445) is 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene is COc1ccc(SC)cc1OC(F)(F)F.
What is the InChIKey of 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
The InChIKey is LYACDVBTJFFCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c1-13-7-4-3-6(15-2)5-8(7)14-9(10,11)12/h3-5H,1-2H3.
What are the key properties of 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene?
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene has a molecular weight of 238.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 170999445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).