2-propan-2-ylthiochromeno[3,2-b]furan-9-one

C14H12O2S — CID 10999275

IUPAC2-propan-2-ylthiochromeno[3,2-b]furan-9-one
SMILESCC(C)c1cc2sc3ccccc3c(=O)c2o1
InChIInChI=1S/C14H12O2S/c1-8(2)10-7-12-14(16-10)13(15)9-5-3-4-6-11(9)17-12/h3-8H,1-2H3
InChIKeyNDPPLUPAZCWNJB-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.13
Rot. Bonds1

About 2-propan-2-ylthiochromeno[3,2-b]furan-9-one

2-propan-2-ylthiochromeno[3,2-b]furan-9-one (PubChem CID 10999275) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-propan-2-ylthiochromeno[3,2-b]furan-9-one.

Molecular Properties

Compound Name2-propan-2-ylthiochromeno[3,2-b]furan-9-one
PubChem CID10999275
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name2-propan-2-ylthiochromeno[3,2-b]furan-9-one
SMILESCC(C)c1cc2sc3ccccc3c(=O)c2o1
InChIInChI=1S/C14H12O2S/c1-8(2)10-7-12-14(16-10)13(15)9-5-3-4-6-11(9)17-12/h3-8H,1-2H3
InChIKeyNDPPLUPAZCWNJB-UHFFFAOYSA-N
XLogP4.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiochromeno[3,2-b]furan-9-one?
The IUPAC name of 2-propan-2-ylthiochromeno[3,2-b]furan-9-one (CID 10999275) is 2-propan-2-ylthiochromeno[3,2-b]furan-9-one.
What is the SMILES notation for 2-propan-2-ylthiochromeno[3,2-b]furan-9-one?
The canonical SMILES for 2-propan-2-ylthiochromeno[3,2-b]furan-9-one is CC(C)c1cc2sc3ccccc3c(=O)c2o1.
What is the InChIKey of 2-propan-2-ylthiochromeno[3,2-b]furan-9-one?
The InChIKey is NDPPLUPAZCWNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-8(2)10-7-12-14(16-10)13(15)9-5-3-4-6-11(9)17-12/h3-8H,1-2H3.
What are the key properties of 2-propan-2-ylthiochromeno[3,2-b]furan-9-one?
2-propan-2-ylthiochromeno[3,2-b]furan-9-one has a molecular weight of 244.31 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiochromeno[3,2-b]furan-9-one is sourced from PubChem (CID 10999275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).