spiro[1,3-dithiane-2,9'-fluorene]

C16H14S2 — CID 607268

IUPACspiro[1,3-dithiane-2,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21SCCCS1
InChIInChI=1S/C16H14S2/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)16(14)17-10-5-11-18-16/h1-4,6-9H,5,10-11H2
InChIKeyJXGJIOSBTJQIIG-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.74
Rot. Bonds

About spiro[1,3-dithiane-2,9'-fluorene]

spiro[1,3-dithiane-2,9'-fluorene] (PubChem CID 607268) has the molecular formula C16H14S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is spiro[1,3-dithiane-2,9'-fluorene].

Molecular Properties

Compound Namespiro[1,3-dithiane-2,9'-fluorene]
PubChem CID607268
Molecular FormulaC16H14S2
Molecular Weight270.42 g/mol
Exact Mass270.05
IUPAC Namespiro[1,3-dithiane-2,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21SCCCS1
InChIInChI=1S/C16H14S2/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)16(14)17-10-5-11-18-16/h1-4,6-9H,5,10-11H2
InChIKeyJXGJIOSBTJQIIG-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dithiane-2,9'-fluorene]?
The IUPAC name of spiro[1,3-dithiane-2,9'-fluorene] (CID 607268) is spiro[1,3-dithiane-2,9'-fluorene].
What is the SMILES notation for spiro[1,3-dithiane-2,9'-fluorene]?
The canonical SMILES for spiro[1,3-dithiane-2,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21SCCCS1.
What is the InChIKey of spiro[1,3-dithiane-2,9'-fluorene]?
The InChIKey is JXGJIOSBTJQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S2/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)16(14)17-10-5-11-18-16/h1-4,6-9H,5,10-11H2.
What are the key properties of spiro[1,3-dithiane-2,9'-fluorene]?
spiro[1,3-dithiane-2,9'-fluorene] has a molecular weight of 270.42 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dithiane-2,9'-fluorene] is sourced from PubChem (CID 607268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).