4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one

C15H14O2S — CID 3009438

IUPAC4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one
SMILESCc1cc(=O)sc2c3c(ccc12)OC(C)(C)C=C3
InChIInChI=1S/C15H14O2S/c1-9-8-13(16)18-14-10(9)4-5-12-11(14)6-7-15(2,3)17-12/h4-8H,1-3H3
InChIKeyCYFCUWYTXIOACS-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.75
Rot. Bonds

About 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one

4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one (PubChem CID 3009438) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one
PubChem CID3009438
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one
SMILESCc1cc(=O)sc2c3c(ccc12)OC(C)(C)C=C3
InChIInChI=1S/C15H14O2S/c1-9-8-13(16)18-14-10(9)4-5-12-11(14)6-7-15(2,3)17-12/h4-8H,1-3H3
InChIKeyCYFCUWYTXIOACS-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one?
The IUPAC name of 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one (CID 3009438) is 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one?
The canonical SMILES for 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one is Cc1cc(=O)sc2c3c(ccc12)OC(C)(C)C=C3.
What is the InChIKey of 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one?
The InChIKey is CYFCUWYTXIOACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-9-8-13(16)18-14-10(9)4-5-12-11(14)6-7-15(2,3)17-12/h4-8H,1-3H3.
What are the key properties of 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one?
4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one has a molecular weight of 258.34 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 3009438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).