1-methylsulfanyl-2-propoxynaphthalene

C14H16OS — CID 91657285

IUPAC1-methylsulfanyl-2-propoxynaphthalene
SMILESCCCOc1ccc2ccccc2c1SC
InChIInChI=1S/C14H16OS/c1-3-10-15-13-9-8-11-6-4-5-7-12(11)14(13)16-2/h4-9H,3,10H2,1-2H3
InChIKeySNLLKIVGISNHNL-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.35
Rot. Bonds4

About 1-methylsulfanyl-2-propoxynaphthalene

1-methylsulfanyl-2-propoxynaphthalene (PubChem CID 91657285) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-methylsulfanyl-2-propoxynaphthalene.

Molecular Properties

Compound Name1-methylsulfanyl-2-propoxynaphthalene
PubChem CID91657285
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-methylsulfanyl-2-propoxynaphthalene
SMILESCCCOc1ccc2ccccc2c1SC
InChIInChI=1S/C14H16OS/c1-3-10-15-13-9-8-11-6-4-5-7-12(11)14(13)16-2/h4-9H,3,10H2,1-2H3
InChIKeySNLLKIVGISNHNL-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-propoxynaphthalene
CID 129259410
1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene
CID 164893480
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene
CID 173248826
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
1,4-dibutoxynaphthalene
CID 22016411

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-propoxynaphthalene?
The IUPAC name of 1-methylsulfanyl-2-propoxynaphthalene (CID 91657285) is 1-methylsulfanyl-2-propoxynaphthalene.
What is the SMILES notation for 1-methylsulfanyl-2-propoxynaphthalene?
The canonical SMILES for 1-methylsulfanyl-2-propoxynaphthalene is CCCOc1ccc2ccccc2c1SC.
What is the InChIKey of 1-methylsulfanyl-2-propoxynaphthalene?
The InChIKey is SNLLKIVGISNHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-3-10-15-13-9-8-11-6-4-5-7-12(11)14(13)16-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-methylsulfanyl-2-propoxynaphthalene?
1-methylsulfanyl-2-propoxynaphthalene has a molecular weight of 232.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-propoxynaphthalene is sourced from PubChem (CID 91657285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).