6-methylsulfonyl-1,2-dihydronaphthalene

C11H12O2S — CID 121321813

IUPAC6-methylsulfonyl-1,2-dihydronaphthalene
SMILESCS(=O)(=O)c1ccc2c(c1)C=CCC2
InChIInChI=1S/C11H12O2S/c1-14(12,13)11-7-6-9-4-2-3-5-10(9)8-11/h3,5-8H,2,4H2,1H3
InChIKeyWDOVMCHMRRUJIF-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.05
Rot. Bonds1

About 6-methylsulfonyl-1,2-dihydronaphthalene

6-methylsulfonyl-1,2-dihydronaphthalene (PubChem CID 121321813) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-methylsulfonyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-methylsulfonyl-1,2-dihydronaphthalene
PubChem CID121321813
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name6-methylsulfonyl-1,2-dihydronaphthalene
SMILESCS(=O)(=O)c1ccc2c(c1)C=CCC2
InChIInChI=1S/C11H12O2S/c1-14(12,13)11-7-6-9-4-2-3-5-10(9)8-11/h3,5-8H,2,4H2,1H3
InChIKeyWDOVMCHMRRUJIF-UHFFFAOYSA-N
XLogP2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1,2-dihydronaphthalene?
The IUPAC name of 6-methylsulfonyl-1,2-dihydronaphthalene (CID 121321813) is 6-methylsulfonyl-1,2-dihydronaphthalene.
What is the SMILES notation for 6-methylsulfonyl-1,2-dihydronaphthalene?
The canonical SMILES for 6-methylsulfonyl-1,2-dihydronaphthalene is CS(=O)(=O)c1ccc2c(c1)C=CCC2.
What is the InChIKey of 6-methylsulfonyl-1,2-dihydronaphthalene?
The InChIKey is WDOVMCHMRRUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-14(12,13)11-7-6-9-4-2-3-5-10(9)8-11/h3,5-8H,2,4H2,1H3.
What are the key properties of 6-methylsulfonyl-1,2-dihydronaphthalene?
6-methylsulfonyl-1,2-dihydronaphthalene has a molecular weight of 208.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1,2-dihydronaphthalene is sourced from PubChem (CID 121321813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).