2-methyl-2-naphthalen-2-yl-1,3-dithiane

C15H16S2 — CID 598856

IUPAC2-methyl-2-naphthalen-2-yl-1,3-dithiane
SMILESCC1(c2ccc3ccccc3c2)SCCCS1
InChIInChI=1S/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyYBWHVXDRVWGCNO-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.88
Rot. Bonds1

About 2-methyl-2-naphthalen-2-yl-1,3-dithiane

2-methyl-2-naphthalen-2-yl-1,3-dithiane (PubChem CID 598856) has the molecular formula C15H16S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-2-yl-1,3-dithiane.

Molecular Properties

Compound Name2-methyl-2-naphthalen-2-yl-1,3-dithiane
PubChem CID598856
Molecular FormulaC15H16S2
Molecular Weight260.43 g/mol
Exact Mass260.07
IUPAC Name2-methyl-2-naphthalen-2-yl-1,3-dithiane
SMILESCC1(c2ccc3ccccc3c2)SCCCS1
InChIInChI=1S/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3
InChIKeyYBWHVXDRVWGCNO-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-2-yl-1,3-dithiane?
The IUPAC name of 2-methyl-2-naphthalen-2-yl-1,3-dithiane (CID 598856) is 2-methyl-2-naphthalen-2-yl-1,3-dithiane.
What is the SMILES notation for 2-methyl-2-naphthalen-2-yl-1,3-dithiane?
The canonical SMILES for 2-methyl-2-naphthalen-2-yl-1,3-dithiane is CC1(c2ccc3ccccc3c2)SCCCS1.
What is the InChIKey of 2-methyl-2-naphthalen-2-yl-1,3-dithiane?
The InChIKey is YBWHVXDRVWGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3.
What are the key properties of 2-methyl-2-naphthalen-2-yl-1,3-dithiane?
2-methyl-2-naphthalen-2-yl-1,3-dithiane has a molecular weight of 260.43 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-2-yl-1,3-dithiane is sourced from PubChem (CID 598856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).