2-naphthalen-1-yl-1,4-dithiane

C14H14S2 — CID 54325650

IUPAC2-naphthalen-1-yl-1,4-dithiane
SMILESc1ccc2c(C3CSCCS3)cccc2c1
InChIInChI=1S/C14H14S2/c1-2-6-12-11(4-1)5-3-7-13(12)14-10-15-8-9-16-14/h1-7,14H,8-10H2
InChIKeySUSKNEOPIBSWSV-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.36
Rot. Bonds1

About 2-naphthalen-1-yl-1,4-dithiane

2-naphthalen-1-yl-1,4-dithiane (PubChem CID 54325650) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,4-dithiane.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,4-dithiane
PubChem CID54325650
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name2-naphthalen-1-yl-1,4-dithiane
SMILESc1ccc2c(C3CSCCS3)cccc2c1
InChIInChI=1S/C14H14S2/c1-2-6-12-11(4-1)5-3-7-13(12)14-10-15-8-9-16-14/h1-7,14H,8-10H2
InChIKeySUSKNEOPIBSWSV-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,4-dithiane?
The IUPAC name of 2-naphthalen-1-yl-1,4-dithiane (CID 54325650) is 2-naphthalen-1-yl-1,4-dithiane.
What is the SMILES notation for 2-naphthalen-1-yl-1,4-dithiane?
The canonical SMILES for 2-naphthalen-1-yl-1,4-dithiane is c1ccc2c(C3CSCCS3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-1,4-dithiane?
The InChIKey is SUSKNEOPIBSWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-2-6-12-11(4-1)5-3-7-13(12)14-10-15-8-9-16-14/h1-7,14H,8-10H2.
What are the key properties of 2-naphthalen-1-yl-1,4-dithiane?
2-naphthalen-1-yl-1,4-dithiane has a molecular weight of 246.40 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,4-dithiane is sourced from PubChem (CID 54325650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).