2-fluoren-9-ylidene-1,3-dithiane

C17H14S2 — CID 13207734

IUPAC2-fluoren-9-ylidene-1,3-dithiane
SMILESc1ccc2c(c1)C(=C1SCCCS1)c1ccccc1-2
InChIInChI=1S/C17H14S2/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)16(14)17-18-10-5-11-19-17/h1-4,6-9H,5,10-11H2
InChIKeyWLLPMILOWPLZFU-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.25
Rot. Bonds

About 2-fluoren-9-ylidene-1,3-dithiane

2-fluoren-9-ylidene-1,3-dithiane (PubChem CID 13207734) has the molecular formula C17H14S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-fluoren-9-ylidene-1,3-dithiane.

Molecular Properties

Compound Name2-fluoren-9-ylidene-1,3-dithiane
PubChem CID13207734
Molecular FormulaC17H14S2
Molecular Weight282.43 g/mol
Exact Mass282.05
IUPAC Name2-fluoren-9-ylidene-1,3-dithiane
SMILESc1ccc2c(c1)C(=C1SCCCS1)c1ccccc1-2
InChIInChI=1S/C17H14S2/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)16(14)17-18-10-5-11-19-17/h1-4,6-9H,5,10-11H2
InChIKeyWLLPMILOWPLZFU-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoren-9-ylidene-1,3-dithiane?
The IUPAC name of 2-fluoren-9-ylidene-1,3-dithiane (CID 13207734) is 2-fluoren-9-ylidene-1,3-dithiane.
What is the SMILES notation for 2-fluoren-9-ylidene-1,3-dithiane?
The canonical SMILES for 2-fluoren-9-ylidene-1,3-dithiane is c1ccc2c(c1)C(=C1SCCCS1)c1ccccc1-2.
What is the InChIKey of 2-fluoren-9-ylidene-1,3-dithiane?
The InChIKey is WLLPMILOWPLZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14S2/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)16(14)17-18-10-5-11-19-17/h1-4,6-9H,5,10-11H2.
What are the key properties of 2-fluoren-9-ylidene-1,3-dithiane?
2-fluoren-9-ylidene-1,3-dithiane has a molecular weight of 282.43 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoren-9-ylidene-1,3-dithiane is sourced from PubChem (CID 13207734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).