3,3-dimethyl-2-methylsulfanylindole

C11H13NS — CID 91731111

IUPAC3,3-dimethyl-2-methylsulfanylindole
SMILESCSC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C11H13NS/c1-11(2)8-6-4-5-7-9(8)12-10(11)13-3/h4-7H,1-3H3
InChIKeyHKTYYQMNFNOMBY-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.37
Rot. Bonds

About 3,3-dimethyl-2-methylsulfanylindole

3,3-dimethyl-2-methylsulfanylindole (PubChem CID 91731111) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylsulfanylindole.

Molecular Properties

Compound Name3,3-dimethyl-2-methylsulfanylindole
PubChem CID91731111
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name3,3-dimethyl-2-methylsulfanylindole
SMILESCSC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C11H13NS/c1-11(2)8-6-4-5-7-9(8)12-10(11)13-3/h4-7H,1-3H3
InChIKeyHKTYYQMNFNOMBY-UHFFFAOYSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylsulfanylindole?
The IUPAC name of 3,3-dimethyl-2-methylsulfanylindole (CID 91731111) is 3,3-dimethyl-2-methylsulfanylindole.
What is the SMILES notation for 3,3-dimethyl-2-methylsulfanylindole?
The canonical SMILES for 3,3-dimethyl-2-methylsulfanylindole is CSC1=Nc2ccccc2C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylsulfanylindole?
The InChIKey is HKTYYQMNFNOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-11(2)8-6-4-5-7-9(8)12-10(11)13-3/h4-7H,1-3H3.
What are the key properties of 3,3-dimethyl-2-methylsulfanylindole?
3,3-dimethyl-2-methylsulfanylindole has a molecular weight of 191.30 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylsulfanylindole is sourced from PubChem (CID 91731111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).