2-(2-methylsulfanylphenyl)-3aH-indene

C16H14S — CID 155004155

IUPAC2-(2-methylsulfanylphenyl)-3aH-indene
SMILESCSc1ccccc1C1=CC2C=CC=CC2=C1
InChIInChI=1S/C16H14S/c1-17-16-9-5-4-8-15(16)14-10-12-6-2-3-7-13(12)11-14/h2-12H,1H3
InChIKeyDLYABSRPIQHHNH-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.47
Rot. Bonds2

About 2-(2-methylsulfanylphenyl)-3aH-indene

2-(2-methylsulfanylphenyl)-3aH-indene (PubChem CID 155004155) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-3aH-indene.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-3aH-indene
PubChem CID155004155
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name2-(2-methylsulfanylphenyl)-3aH-indene
SMILESCSc1ccccc1C1=CC2C=CC=CC2=C1
InChIInChI=1S/C16H14S/c1-17-16-9-5-4-8-15(16)14-10-12-6-2-3-7-13(12)11-14/h2-12H,1H3
InChIKeyDLYABSRPIQHHNH-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)-3aH-indene?
The IUPAC name of 2-(2-methylsulfanylphenyl)-3aH-indene (CID 155004155) is 2-(2-methylsulfanylphenyl)-3aH-indene.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-3aH-indene?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-3aH-indene is CSc1ccccc1C1=CC2C=CC=CC2=C1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-3aH-indene?
The InChIKey is DLYABSRPIQHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-17-16-9-5-4-8-15(16)14-10-12-6-2-3-7-13(12)11-14/h2-12H,1H3.
What are the key properties of 2-(2-methylsulfanylphenyl)-3aH-indene?
2-(2-methylsulfanylphenyl)-3aH-indene has a molecular weight of 238.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)-3aH-indene is sourced from PubChem (CID 155004155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).