2-(benzenesulfinyl)naphthalene

C16H12OS — CID 57049900

IUPAC2-(benzenesulfinyl)naphthalene
SMILESO=S(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H12OS/c17-18(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H
InChIKeyGBQCVUJZGKWNRS-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.01
Rot. Bonds2

About 2-(benzenesulfinyl)naphthalene

2-(benzenesulfinyl)naphthalene (PubChem CID 57049900) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(benzenesulfinyl)naphthalene.

Molecular Properties

Compound Name2-(benzenesulfinyl)naphthalene
PubChem CID57049900
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name2-(benzenesulfinyl)naphthalene
SMILESO=S(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H12OS/c17-18(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H
InChIKeyGBQCVUJZGKWNRS-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)naphthalene?
The IUPAC name of 2-(benzenesulfinyl)naphthalene (CID 57049900) is 2-(benzenesulfinyl)naphthalene.
What is the SMILES notation for 2-(benzenesulfinyl)naphthalene?
The canonical SMILES for 2-(benzenesulfinyl)naphthalene is O=S(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(benzenesulfinyl)naphthalene?
The InChIKey is GBQCVUJZGKWNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c17-18(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H.
What are the key properties of 2-(benzenesulfinyl)naphthalene?
2-(benzenesulfinyl)naphthalene has a molecular weight of 252.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)naphthalene is sourced from PubChem (CID 57049900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).