2-naphthalen-2-ylthiane 1-oxide

C15H16OS — CID 10037732

IUPAC2-naphthalen-2-ylthiane 1-oxide
SMILESO=S1CCCCC1c1ccc2ccccc2c1
InChIInChI=1S/C15H16OS/c16-17-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15H,3-4,7,10H2
InChIKeyCBEVHSBWLKSBJU-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.81
Rot. Bonds1

About 2-naphthalen-2-ylthiane 1-oxide

2-naphthalen-2-ylthiane 1-oxide (PubChem CID 10037732) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-naphthalen-2-ylthiane 1-oxide.

Molecular Properties

Compound Name2-naphthalen-2-ylthiane 1-oxide
PubChem CID10037732
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name2-naphthalen-2-ylthiane 1-oxide
SMILESO=S1CCCCC1c1ccc2ccccc2c1
InChIInChI=1S/C15H16OS/c16-17-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15H,3-4,7,10H2
InChIKeyCBEVHSBWLKSBJU-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylthiane 1-oxide?
The IUPAC name of 2-naphthalen-2-ylthiane 1-oxide (CID 10037732) is 2-naphthalen-2-ylthiane 1-oxide.
What is the SMILES notation for 2-naphthalen-2-ylthiane 1-oxide?
The canonical SMILES for 2-naphthalen-2-ylthiane 1-oxide is O=S1CCCCC1c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylthiane 1-oxide?
The InChIKey is CBEVHSBWLKSBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c16-17-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15H,3-4,7,10H2.
What are the key properties of 2-naphthalen-2-ylthiane 1-oxide?
2-naphthalen-2-ylthiane 1-oxide has a molecular weight of 244.36 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylthiane 1-oxide is sourced from PubChem (CID 10037732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).