3-methylsulfanyl-1H-indole

C9H9NS — CID 10888252

IUPAC3-methylsulfanyl-1H-indole
SMILESCSc1c[nH]c2ccccc12
InChIInChI=1S/C9H9NS/c1-11-9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChIKeyTVHHOXFINVVIIT-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.89
Rot. Bonds1

About 3-methylsulfanyl-1H-indole

3-methylsulfanyl-1H-indole (PubChem CID 10888252) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name3-methylsulfanyl-1H-indole
PubChem CID10888252
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name3-methylsulfanyl-1H-indole
SMILESCSc1c[nH]c2ccccc12
InChIInChI=1S/C9H9NS/c1-11-9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChIKeyTVHHOXFINVVIIT-UHFFFAOYSA-N
XLogP2.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1H-indole?
The IUPAC name of 3-methylsulfanyl-1H-indole (CID 10888252) is 3-methylsulfanyl-1H-indole.
What is the SMILES notation for 3-methylsulfanyl-1H-indole?
The canonical SMILES for 3-methylsulfanyl-1H-indole is CSc1c[nH]c2ccccc12.
What is the InChIKey of 3-methylsulfanyl-1H-indole?
The InChIKey is TVHHOXFINVVIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-11-9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3.
What are the key properties of 3-methylsulfanyl-1H-indole?
3-methylsulfanyl-1H-indole has a molecular weight of 163.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1H-indole is sourced from PubChem (CID 10888252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).