3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol

C10H8F3NOS — CID 141018428

IUPAC3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol
SMILESCSc1c(O)[nH]c2cccc(C(F)(F)F)c12
InChIInChI=1S/C10H8F3NOS/c1-16-8-7-5(10(11,12)13)3-2-4-6(7)14-9(8)15/h2-4,14-15H,1H3
InChIKeySFKSIJQGPUXSEP-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.61
Rot. Bonds1

About 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol

3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol (PubChem CID 141018428) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol
PubChem CID141018428
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol
SMILESCSc1c(O)[nH]c2cccc(C(F)(F)F)c12
InChIInChI=1S/C10H8F3NOS/c1-16-8-7-5(10(11,12)13)3-2-4-6(7)14-9(8)15/h2-4,14-15H,1H3
InChIKeySFKSIJQGPUXSEP-UHFFFAOYSA-N
XLogP3.61
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 151410207
2-methylsulfanyl-3,6-bis(trifluoromethyl)phenol
CID 134639205
1-(2,2-difluoroethoxy)-2-methylsulfanyl-3-(trifluoromethyl)benzene
CID 156769036
9-oxo-8-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 45117724
3-methyl-4-(trifluoromethyl)-2H-indazole
CID 70840993
1-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
CID 68760063
1-[2-methylsulfanyl-3-(trifluoromethyl)phenyl]propan-1-one
CID 166640850
4-(4-fluorophenyl)sulfanyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 171905390
3-(1-hydroxyethyl)-5-(trifluoromethyl)-1H-quinolin-4-one
CID 90869470
ethyl 2-[3-methyl-4-(trifluoromethyl)-1H-indol-2-yl]-2-oxoacetate
CID 115072663
1,2-dimethyl-3-[2-methylsulfanyl-3-(trifluoromethyl)phenyl]benzene
CID 123454793
1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 175976807

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol?
The IUPAC name of 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol (CID 141018428) is 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol?
The canonical SMILES for 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol is CSc1c(O)[nH]c2cccc(C(F)(F)F)c12.
What is the InChIKey of 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol?
The InChIKey is SFKSIJQGPUXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c1-16-8-7-5(10(11,12)13)3-2-4-6(7)14-9(8)15/h2-4,14-15H,1H3.
What are the key properties of 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol?
3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol has a molecular weight of 247.24 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-4-(trifluoromethyl)-1H-indol-2-ol is sourced from PubChem (CID 141018428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).