8-ethylsulfanyl-1,2-dimethylnaphthalene

C14H16S — CID 154317333

IUPAC8-ethylsulfanyl-1,2-dimethylnaphthalene
SMILESCCSc1cccc2ccc(C)c(C)c12
InChIInChI=1S/C14H16S/c1-4-15-13-7-5-6-12-9-8-10(2)11(3)14(12)13/h5-9H,4H2,1-3H3
InChIKeyJXWIUZHHACRNIH-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.57
Rot. Bonds2

About 8-ethylsulfanyl-1,2-dimethylnaphthalene

8-ethylsulfanyl-1,2-dimethylnaphthalene (PubChem CID 154317333) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 8-ethylsulfanyl-1,2-dimethylnaphthalene.

Molecular Properties

Compound Name8-ethylsulfanyl-1,2-dimethylnaphthalene
PubChem CID154317333
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name8-ethylsulfanyl-1,2-dimethylnaphthalene
SMILESCCSc1cccc2ccc(C)c(C)c12
InChIInChI=1S/C14H16S/c1-4-15-13-7-5-6-12-9-8-10(2)11(3)14(12)13/h5-9H,4H2,1-3H3
InChIKeyJXWIUZHHACRNIH-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylsulfanyl-2-fluoro-3-methylbenzene
CID 91876383
2-butyl-1-ethylsulfanyl-3-methylbenzene
CID 100940163
8-ethenyl-1,2-dimethylnaphthalene
CID 123674776
1-butan-2-yl-3-ethylsulfanyl-2-methylbenzene
CID 100940159
azane;propane;pyrene
CID 87370632
1,8-dimethyl-2-propan-2-ylnaphthalene
CID 174870278
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
1-ethylsulfanyl-2-methyl-3-nitrobenzene
CID 12807067
4,5-dimethylphenanthrene;ethane
CID 143983787
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
1-ethylsulfanylacridin-9-amine
CID 13048104
1,2-dimethylnaphthalene;ethane
CID 90922397

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanyl-1,2-dimethylnaphthalene?
The IUPAC name of 8-ethylsulfanyl-1,2-dimethylnaphthalene (CID 154317333) is 8-ethylsulfanyl-1,2-dimethylnaphthalene.
What is the SMILES notation for 8-ethylsulfanyl-1,2-dimethylnaphthalene?
The canonical SMILES for 8-ethylsulfanyl-1,2-dimethylnaphthalene is CCSc1cccc2ccc(C)c(C)c12.
What is the InChIKey of 8-ethylsulfanyl-1,2-dimethylnaphthalene?
The InChIKey is JXWIUZHHACRNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-4-15-13-7-5-6-12-9-8-10(2)11(3)14(12)13/h5-9H,4H2,1-3H3.
What are the key properties of 8-ethylsulfanyl-1,2-dimethylnaphthalene?
8-ethylsulfanyl-1,2-dimethylnaphthalene has a molecular weight of 216.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanyl-1,2-dimethylnaphthalene is sourced from PubChem (CID 154317333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).