5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole

C15H15NS2 — CID 22498835

IUPAC5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole
SMILESCSc1ccc(Sc2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C15H15NS2/c1-17-12-2-4-13(5-3-12)18-14-6-7-15-11(10-14)8-9-16-15/h2-7,10,16H,8-9H2,1H3
InChIKeyJLEBKRCIQVWCJD-UHFFFAOYSA-N
MW273.43 g/mol
LogP4.53
Rot. Bonds3

About 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole

5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole (PubChem CID 22498835) has the molecular formula C15H15NS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole
PubChem CID22498835
Molecular FormulaC15H15NS2
Molecular Weight273.43 g/mol
Exact Mass273.06
IUPAC Name5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole
SMILESCSc1ccc(Sc2ccc3c(c2)CCN3)cc1
InChIInChI=1S/C15H15NS2/c1-17-12-2-4-13(5-3-12)18-14-6-7-15-11(10-14)8-9-16-15/h2-7,10,16H,8-9H2,1H3
InChIKeyJLEBKRCIQVWCJD-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole (CID 22498835) is 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole is CSc1ccc(Sc2ccc3c(c2)CCN3)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole?
The InChIKey is JLEBKRCIQVWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS2/c1-17-12-2-4-13(5-3-12)18-14-6-7-15-11(10-14)8-9-16-15/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole?
5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole has a molecular weight of 273.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 22498835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).