6-methoxy-1-methylsulfanylnaphthalene

C12H12OS — CID 22125695

IUPAC6-methoxy-1-methylsulfanylnaphthalene
SMILESCOc1ccc2c(SC)cccc2c1
InChIInChI=1S/C12H12OS/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-8H,1-2H3
InChIKeyQLOYEEANTHMTKW-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.57
Rot. Bonds2

About 6-methoxy-1-methylsulfanylnaphthalene

6-methoxy-1-methylsulfanylnaphthalene (PubChem CID 22125695) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 6-methoxy-1-methylsulfanylnaphthalene.

Molecular Properties

Compound Name6-methoxy-1-methylsulfanylnaphthalene
PubChem CID22125695
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name6-methoxy-1-methylsulfanylnaphthalene
SMILESCOc1ccc2c(SC)cccc2c1
InChIInChI=1S/C12H12OS/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-8H,1-2H3
InChIKeyQLOYEEANTHMTKW-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methylsulfanylnaphthalene?
The IUPAC name of 6-methoxy-1-methylsulfanylnaphthalene (CID 22125695) is 6-methoxy-1-methylsulfanylnaphthalene.
What is the SMILES notation for 6-methoxy-1-methylsulfanylnaphthalene?
The canonical SMILES for 6-methoxy-1-methylsulfanylnaphthalene is COc1ccc2c(SC)cccc2c1.
What is the InChIKey of 6-methoxy-1-methylsulfanylnaphthalene?
The InChIKey is QLOYEEANTHMTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-8H,1-2H3.
What are the key properties of 6-methoxy-1-methylsulfanylnaphthalene?
6-methoxy-1-methylsulfanylnaphthalene has a molecular weight of 204.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methylsulfanylnaphthalene is sourced from PubChem (CID 22125695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).