1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene

C11H14S — CID 138498139

IUPAC1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene
SMILESCSc1cccc2c1C(C)CC2
InChIInChI=1S/C11H14S/c1-8-6-7-9-4-3-5-10(12-2)11(8)9/h3-5,8H,6-7H2,1-2H3
InChIKeyADJBSVLLMUQNHI-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.46
Rot. Bonds1

About 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene

1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene (PubChem CID 138498139) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene
PubChem CID138498139
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene
SMILESCSc1cccc2c1C(C)CC2
InChIInChI=1S/C11H14S/c1-8-6-7-9-4-3-5-10(12-2)11(8)9/h3-5,8H,6-7H2,1-2H3
InChIKeyADJBSVLLMUQNHI-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene (CID 138498139) is 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene is CSc1cccc2c1C(C)CC2.
What is the InChIKey of 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene?
The InChIKey is ADJBSVLLMUQNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-8-6-7-9-4-3-5-10(12-2)11(8)9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene?
1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene has a molecular weight of 178.30 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 138498139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).