2,3-dimethyl-3-(methylsulfanylmethyl)indole

C12H15NS — CID 10330595

IUPAC2,3-dimethyl-3-(methylsulfanylmethyl)indole
SMILESCSCC1(C)C(C)=Nc2ccccc21
InChIInChI=1S/C12H15NS/c1-9-12(2,8-14-3)10-6-4-5-7-11(10)13-9/h4-7H,8H2,1-3H3
InChIKeyHJVJNCAGCFDXCO-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.41
Rot. Bonds2

About 2,3-dimethyl-3-(methylsulfanylmethyl)indole

2,3-dimethyl-3-(methylsulfanylmethyl)indole (PubChem CID 10330595) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2,3-dimethyl-3-(methylsulfanylmethyl)indole.

Molecular Properties

Compound Name2,3-dimethyl-3-(methylsulfanylmethyl)indole
PubChem CID10330595
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2,3-dimethyl-3-(methylsulfanylmethyl)indole
SMILESCSCC1(C)C(C)=Nc2ccccc21
InChIInChI=1S/C12H15NS/c1-9-12(2,8-14-3)10-6-4-5-7-11(10)13-9/h4-7H,8H2,1-3H3
InChIKeyHJVJNCAGCFDXCO-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(methylsulfanylmethyl)indole?
The IUPAC name of 2,3-dimethyl-3-(methylsulfanylmethyl)indole (CID 10330595) is 2,3-dimethyl-3-(methylsulfanylmethyl)indole.
What is the SMILES notation for 2,3-dimethyl-3-(methylsulfanylmethyl)indole?
The canonical SMILES for 2,3-dimethyl-3-(methylsulfanylmethyl)indole is CSCC1(C)C(C)=Nc2ccccc21.
What is the InChIKey of 2,3-dimethyl-3-(methylsulfanylmethyl)indole?
The InChIKey is HJVJNCAGCFDXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-9-12(2,8-14-3)10-6-4-5-7-11(10)13-9/h4-7H,8H2,1-3H3.
What are the key properties of 2,3-dimethyl-3-(methylsulfanylmethyl)indole?
2,3-dimethyl-3-(methylsulfanylmethyl)indole has a molecular weight of 205.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(methylsulfanylmethyl)indole is sourced from PubChem (CID 10330595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).