3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene

C13H16S — CID 123929890

IUPAC3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene
SMILESCSC1=C(C)CCc2cc(C)ccc21
InChIInChI=1S/C13H16S/c1-9-4-7-12-11(8-9)6-5-10(2)13(12)14-3/h4,7-8H,5-6H2,1-3H3
InChIKeyAOELFAQTDBGGMS-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.04
Rot. Bonds1

About 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene

3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene (PubChem CID 123929890) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene
PubChem CID123929890
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene
SMILESCSC1=C(C)CCc2cc(C)ccc21
InChIInChI=1S/C13H16S/c1-9-4-7-12-11(8-9)6-5-10(2)13(12)14-3/h4,7-8H,5-6H2,1-3H3
InChIKeyAOELFAQTDBGGMS-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene?
The IUPAC name of 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene (CID 123929890) is 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene.
What is the SMILES notation for 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene?
The canonical SMILES for 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene is CSC1=C(C)CCc2cc(C)ccc21.
What is the InChIKey of 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene?
The InChIKey is AOELFAQTDBGGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-9-4-7-12-11(8-9)6-5-10(2)13(12)14-3/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene?
3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene has a molecular weight of 204.34 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene is sourced from PubChem (CID 123929890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).