2-methyl-1-methylsulfanylnaphthalene

C12H12S — CID 15653767

IUPAC2-methyl-1-methylsulfanylnaphthalene
SMILESCSc1c(C)ccc2ccccc12
InChIInChI=1S/C12H12S/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3
InChIKeyWUVZODZFFCVEAB-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.87
Rot. Bonds1

About 2-methyl-1-methylsulfanylnaphthalene

2-methyl-1-methylsulfanylnaphthalene (PubChem CID 15653767) has the molecular formula C12H12S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylnaphthalene.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylnaphthalene
PubChem CID15653767
Molecular FormulaC12H12S
Molecular Weight188.29 g/mol
Exact Mass188.07
IUPAC Name2-methyl-1-methylsulfanylnaphthalene
SMILESCSc1c(C)ccc2ccccc12
InChIInChI=1S/C12H12S/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3
InChIKeyWUVZODZFFCVEAB-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanylnaphthalene?
The IUPAC name of 2-methyl-1-methylsulfanylnaphthalene (CID 15653767) is 2-methyl-1-methylsulfanylnaphthalene.
What is the SMILES notation for 2-methyl-1-methylsulfanylnaphthalene?
The canonical SMILES for 2-methyl-1-methylsulfanylnaphthalene is CSc1c(C)ccc2ccccc12.
What is the InChIKey of 2-methyl-1-methylsulfanylnaphthalene?
The InChIKey is WUVZODZFFCVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanylnaphthalene?
2-methyl-1-methylsulfanylnaphthalene has a molecular weight of 188.29 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylnaphthalene is sourced from PubChem (CID 15653767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).