3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole

C10H8F3NOS — CID 57087706

IUPAC3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole
SMILESCSc1c[nH]c2cccc(OC(F)(F)F)c12
InChIInChI=1S/C10H8F3NOS/c1-16-8-5-14-6-3-2-4-7(9(6)8)15-10(11,12)13/h2-5,14H,1H3
InChIKeyJYSGHTCYYFPKSH-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.79
Rot. Bonds2

About 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole

3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole (PubChem CID 57087706) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole.

Molecular Properties

Compound Name3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole
PubChem CID57087706
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole
SMILESCSc1c[nH]c2cccc(OC(F)(F)F)c12
InChIInChI=1S/C10H8F3NOS/c1-16-8-5-14-6-3-2-4-7(9(6)8)15-10(11,12)13/h2-5,14H,1H3
InChIKeyJYSGHTCYYFPKSH-UHFFFAOYSA-N
XLogP3.79
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole?
The IUPAC name of 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole (CID 57087706) is 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole.
What is the SMILES notation for 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole?
The canonical SMILES for 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole is CSc1c[nH]c2cccc(OC(F)(F)F)c12.
What is the InChIKey of 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole?
The InChIKey is JYSGHTCYYFPKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c1-16-8-5-14-6-3-2-4-7(9(6)8)15-10(11,12)13/h2-5,14H,1H3.
What are the key properties of 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole?
3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole has a molecular weight of 247.24 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4-(trifluoromethoxy)-1H-indole is sourced from PubChem (CID 57087706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).