2-methoxy-1-methylsulfinylnaphthalene

C12H12O2S — CID 72741396

IUPAC2-methoxy-1-methylsulfinylnaphthalene
SMILESCOc1ccc2ccccc2c1S(C)=O
InChIInChI=1S/C12H12O2S/c1-14-11-8-7-9-5-3-4-6-10(9)12(11)15(2)13/h3-8H,1-2H3
InChIKeyRSOKZYJMLZSQKA-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.59
Rot. Bonds2

About 2-methoxy-1-methylsulfinylnaphthalene

2-methoxy-1-methylsulfinylnaphthalene (PubChem CID 72741396) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methoxy-1-methylsulfinylnaphthalene.

Molecular Properties

Compound Name2-methoxy-1-methylsulfinylnaphthalene
PubChem CID72741396
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-methoxy-1-methylsulfinylnaphthalene
SMILESCOc1ccc2ccccc2c1S(C)=O
InChIInChI=1S/C12H12O2S/c1-14-11-8-7-9-5-3-4-6-10(9)12(11)15(2)13/h3-8H,1-2H3
InChIKeyRSOKZYJMLZSQKA-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylsulfinylnaphthalene?
The IUPAC name of 2-methoxy-1-methylsulfinylnaphthalene (CID 72741396) is 2-methoxy-1-methylsulfinylnaphthalene.
What is the SMILES notation for 2-methoxy-1-methylsulfinylnaphthalene?
The canonical SMILES for 2-methoxy-1-methylsulfinylnaphthalene is COc1ccc2ccccc2c1S(C)=O.
What is the InChIKey of 2-methoxy-1-methylsulfinylnaphthalene?
The InChIKey is RSOKZYJMLZSQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-14-11-8-7-9-5-3-4-6-10(9)12(11)15(2)13/h3-8H,1-2H3.
What are the key properties of 2-methoxy-1-methylsulfinylnaphthalene?
2-methoxy-1-methylsulfinylnaphthalene has a molecular weight of 220.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylsulfinylnaphthalene is sourced from PubChem (CID 72741396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).