3,4-di(azulen-1-yl)thiolane-3,4-diol

C24H20O2S — CID 72712753

IUPAC3,4-di(azulen-1-yl)thiolane-3,4-diol
SMILESOC1(c2ccc3cccccc2-3)CSCC1(O)c1ccc2cccccc1-2
InChIInChI=1S/C24H20O2S/c25-23(21-13-11-17-7-3-1-5-9-19(17)21)15-27-16-24(23,26)22-14-12-18-8-4-2-6-10-20(18)22/h1-14,25-26H,15-16H2
InChIKeyAWBWVIPXFBBDFU-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.72
Rot. Bonds2

About 3,4-di(azulen-1-yl)thiolane-3,4-diol

3,4-di(azulen-1-yl)thiolane-3,4-diol (PubChem CID 72712753) has the molecular formula C24H20O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3,4-di(azulen-1-yl)thiolane-3,4-diol.

Molecular Properties

Compound Name3,4-di(azulen-1-yl)thiolane-3,4-diol
PubChem CID72712753
Molecular FormulaC24H20O2S
Molecular Weight372.49 g/mol
Exact Mass372.12
IUPAC Name3,4-di(azulen-1-yl)thiolane-3,4-diol
SMILESOC1(c2ccc3cccccc2-3)CSCC1(O)c1ccc2cccccc1-2
InChIInChI=1S/C24H20O2S/c25-23(21-13-11-17-7-3-1-5-9-19(17)21)15-27-16-24(23,26)22-14-12-18-8-4-2-6-10-20(18)22/h1-14,25-26H,15-16H2
InChIKeyAWBWVIPXFBBDFU-UHFFFAOYSA-N
XLogP4.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(azulen-1-yl)thiolane-3,4-diol?
The IUPAC name of 3,4-di(azulen-1-yl)thiolane-3,4-diol (CID 72712753) is 3,4-di(azulen-1-yl)thiolane-3,4-diol.
What is the SMILES notation for 3,4-di(azulen-1-yl)thiolane-3,4-diol?
The canonical SMILES for 3,4-di(azulen-1-yl)thiolane-3,4-diol is OC1(c2ccc3cccccc2-3)CSCC1(O)c1ccc2cccccc1-2.
What is the InChIKey of 3,4-di(azulen-1-yl)thiolane-3,4-diol?
The InChIKey is AWBWVIPXFBBDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2S/c25-23(21-13-11-17-7-3-1-5-9-19(17)21)15-27-16-24(23,26)22-14-12-18-8-4-2-6-10-20(18)22/h1-14,25-26H,15-16H2.
What are the key properties of 3,4-di(azulen-1-yl)thiolane-3,4-diol?
3,4-di(azulen-1-yl)thiolane-3,4-diol has a molecular weight of 372.49 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(azulen-1-yl)thiolane-3,4-diol is sourced from PubChem (CID 72712753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).