1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene

C9H9F3OS — CID 117035916

IUPAC1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene
SMILESCOc1ccc(SC(F)(F)F)cc1C
InChIInChI=1S/C9H9F3OS/c1-6-5-7(14-9(10,11)12)3-4-8(6)13-2/h3-5H,1-2H3
InChIKeyYKYDBEOPVALMBY-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.62
Rot. Bonds2

About 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene

1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 117035916) has the molecular formula C9H9F3OS and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene
PubChem CID117035916
Molecular FormulaC9H9F3OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene
SMILESCOc1ccc(SC(F)(F)F)cc1C
InChIInChI=1S/C9H9F3OS/c1-6-5-7(14-9(10,11)12)3-4-8(6)13-2/h3-5H,1-2H3
InChIKeyYKYDBEOPVALMBY-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene (CID 117035916) is 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene is COc1ccc(SC(F)(F)F)cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is YKYDBEOPVALMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3OS/c1-6-5-7(14-9(10,11)12)3-4-8(6)13-2/h3-5H,1-2H3.
What are the key properties of 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene?
1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 222.23 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 117035916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).