2-propan-2-ylthieno[2,3-b]thiochromen-4-one

C14H12OS2 — CID 14920150

IUPAC2-propan-2-ylthieno[2,3-b]thiochromen-4-one
SMILESCC(C)c1cc2c(=O)c3ccccc3sc2s1
InChIInChI=1S/C14H12OS2/c1-8(2)12-7-10-13(15)9-5-3-4-6-11(9)16-14(10)17-12/h3-8H,1-2H3
InChIKeyNITGSIOSPSCGKI-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.60
Rot. Bonds1

About 2-propan-2-ylthieno[2,3-b]thiochromen-4-one

2-propan-2-ylthieno[2,3-b]thiochromen-4-one (PubChem CID 14920150) has the molecular formula C14H12OS2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-propan-2-ylthieno[2,3-b]thiochromen-4-one.

Molecular Properties

Compound Name2-propan-2-ylthieno[2,3-b]thiochromen-4-one
PubChem CID14920150
Molecular FormulaC14H12OS2
Molecular Weight260.38 g/mol
Exact Mass260.03
IUPAC Name2-propan-2-ylthieno[2,3-b]thiochromen-4-one
SMILESCC(C)c1cc2c(=O)c3ccccc3sc2s1
InChIInChI=1S/C14H12OS2/c1-8(2)12-7-10-13(15)9-5-3-4-6-11(9)16-14(10)17-12/h3-8H,1-2H3
InChIKeyNITGSIOSPSCGKI-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthieno[2,3-b]thiochromen-4-one?
The IUPAC name of 2-propan-2-ylthieno[2,3-b]thiochromen-4-one (CID 14920150) is 2-propan-2-ylthieno[2,3-b]thiochromen-4-one.
What is the SMILES notation for 2-propan-2-ylthieno[2,3-b]thiochromen-4-one?
The canonical SMILES for 2-propan-2-ylthieno[2,3-b]thiochromen-4-one is CC(C)c1cc2c(=O)c3ccccc3sc2s1.
What is the InChIKey of 2-propan-2-ylthieno[2,3-b]thiochromen-4-one?
The InChIKey is NITGSIOSPSCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS2/c1-8(2)12-7-10-13(15)9-5-3-4-6-11(9)16-14(10)17-12/h3-8H,1-2H3.
What are the key properties of 2-propan-2-ylthieno[2,3-b]thiochromen-4-one?
2-propan-2-ylthieno[2,3-b]thiochromen-4-one has a molecular weight of 260.38 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthieno[2,3-b]thiochromen-4-one is sourced from PubChem (CID 14920150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).