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

C14H14S2 — CID 13449802

IUPAC2-naphthalen-2-yl-1,3-dithiane
SMILESc1ccc2cc(C3SCCCS3)ccc2c1
InChIInChI=1S/C14H14S2/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-2,4-7,10,14H,3,8-9H2
InChIKeyKDQWHJYSSCTXLG-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.71
Rot. Bonds1

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

2-naphthalen-2-yl-1,3-dithiane (PubChem CID 13449802) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1,3-dithiane.

Molecular Properties

Compound Name2-naphthalen-2-yl-1,3-dithiane
PubChem CID13449802
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name2-naphthalen-2-yl-1,3-dithiane
SMILESc1ccc2cc(C3SCCCS3)ccc2c1
InChIInChI=1S/C14H14S2/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-2,4-7,10,14H,3,8-9H2
InChIKeyKDQWHJYSSCTXLG-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1,3-dithiane?
The IUPAC name of 2-naphthalen-2-yl-1,3-dithiane (CID 13449802) is 2-naphthalen-2-yl-1,3-dithiane.
What is the SMILES notation for 2-naphthalen-2-yl-1,3-dithiane?
The canonical SMILES for 2-naphthalen-2-yl-1,3-dithiane is c1ccc2cc(C3SCCCS3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-1,3-dithiane?
The InChIKey is KDQWHJYSSCTXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-2,4-7,10,14H,3,8-9H2.
What are the key properties of 2-naphthalen-2-yl-1,3-dithiane?
2-naphthalen-2-yl-1,3-dithiane has a molecular weight of 246.40 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1,3-dithiane is sourced from PubChem (CID 13449802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).