1-methoxy-7-methyl-3-methylsulfanylnaphthalene

C13H14OS — CID 134416852

IUPAC1-methoxy-7-methyl-3-methylsulfanylnaphthalene
SMILESCOc1cc(SC)cc2ccc(C)cc12
InChIInChI=1S/C13H14OS/c1-9-4-5-10-7-11(15-3)8-13(14-2)12(10)6-9/h4-8H,1-3H3
InChIKeyUYSCKBUVJKYNNK-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.88
Rot. Bonds2

About 1-methoxy-7-methyl-3-methylsulfanylnaphthalene

1-methoxy-7-methyl-3-methylsulfanylnaphthalene (PubChem CID 134416852) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-methoxy-7-methyl-3-methylsulfanylnaphthalene.

Molecular Properties

Compound Name1-methoxy-7-methyl-3-methylsulfanylnaphthalene
PubChem CID134416852
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name1-methoxy-7-methyl-3-methylsulfanylnaphthalene
SMILESCOc1cc(SC)cc2ccc(C)cc12
InChIInChI=1S/C13H14OS/c1-9-4-5-10-7-11(15-3)8-13(14-2)12(10)6-9/h4-8H,1-3H3
InChIKeyUYSCKBUVJKYNNK-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole
CID 144565348
2,4-dimethoxy-7-methylquinoline
CID 70166740
2,4-dimethoxy-6-methylquinoline
CID 5326166
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
(2-fluoro-3-methoxy-5-methylsulfanylphenyl)boronic acid
CID 163353758
(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
2-methoxy-4-methylsulfanylphenol
CID 11423824
1,3,7-trimethoxynaphthalene
CID 102088907
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
1-(fluoromethoxy)-3,7-dimethylnaphthalene
CID 59795441

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-methyl-3-methylsulfanylnaphthalene?
The IUPAC name of 1-methoxy-7-methyl-3-methylsulfanylnaphthalene (CID 134416852) is 1-methoxy-7-methyl-3-methylsulfanylnaphthalene.
What is the SMILES notation for 1-methoxy-7-methyl-3-methylsulfanylnaphthalene?
The canonical SMILES for 1-methoxy-7-methyl-3-methylsulfanylnaphthalene is COc1cc(SC)cc2ccc(C)cc12.
What is the InChIKey of 1-methoxy-7-methyl-3-methylsulfanylnaphthalene?
The InChIKey is UYSCKBUVJKYNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-9-4-5-10-7-11(15-3)8-13(14-2)12(10)6-9/h4-8H,1-3H3.
What are the key properties of 1-methoxy-7-methyl-3-methylsulfanylnaphthalene?
1-methoxy-7-methyl-3-methylsulfanylnaphthalene has a molecular weight of 218.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-methyl-3-methylsulfanylnaphthalene is sourced from PubChem (CID 134416852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).