spiro[1,3-dithiolane-2,9'-thioxanthene]

C15H12S3 — CID 11066133

IUPACspiro[1,3-dithiolane-2,9'-thioxanthene]
SMILESc1ccc2c(c1)Sc1ccccc1C21SCCS1
InChIInChI=1S/C15H12S3/c1-3-7-13-11(5-1)15(16-9-10-17-15)12-6-2-4-8-14(12)18-13/h1-8H,9-10H2
InChIKeyQXXZGLPLNBQOII-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.83
Rot. Bonds

About spiro[1,3-dithiolane-2,9'-thioxanthene]

spiro[1,3-dithiolane-2,9'-thioxanthene] (PubChem CID 11066133) has the molecular formula C15H12S3 and a molecular weight of 288.46 g/mol. Its IUPAC name is spiro[1,3-dithiolane-2,9'-thioxanthene].

Molecular Properties

Compound Namespiro[1,3-dithiolane-2,9'-thioxanthene]
PubChem CID11066133
Molecular FormulaC15H12S3
Molecular Weight288.46 g/mol
Exact Mass288.01
IUPAC Namespiro[1,3-dithiolane-2,9'-thioxanthene]
SMILESc1ccc2c(c1)Sc1ccccc1C21SCCS1
InChIInChI=1S/C15H12S3/c1-3-7-13-11(5-1)15(16-9-10-17-15)12-6-2-4-8-14(12)18-13/h1-8H,9-10H2
InChIKeyQXXZGLPLNBQOII-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dithiolane-2,9'-thioxanthene]?
The IUPAC name of spiro[1,3-dithiolane-2,9'-thioxanthene] (CID 11066133) is spiro[1,3-dithiolane-2,9'-thioxanthene].
What is the SMILES notation for spiro[1,3-dithiolane-2,9'-thioxanthene]?
The canonical SMILES for spiro[1,3-dithiolane-2,9'-thioxanthene] is c1ccc2c(c1)Sc1ccccc1C21SCCS1.
What is the InChIKey of spiro[1,3-dithiolane-2,9'-thioxanthene]?
The InChIKey is QXXZGLPLNBQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S3/c1-3-7-13-11(5-1)15(16-9-10-17-15)12-6-2-4-8-14(12)18-13/h1-8H,9-10H2.
What are the key properties of spiro[1,3-dithiolane-2,9'-thioxanthene]?
spiro[1,3-dithiolane-2,9'-thioxanthene] has a molecular weight of 288.46 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dithiolane-2,9'-thioxanthene] is sourced from PubChem (CID 11066133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).