2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one

C11H8OS2 — CID 12675312

IUPAC2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one
SMILESO=C1CCSc2c1sc1ccccc21
InChIInChI=1S/C11H8OS2/c12-8-5-6-13-10-7-3-1-2-4-9(7)14-11(8)10/h1-4H,5-6H2
InChIKeyTZXYRIOUBZZWEH-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.58
Rot. Bonds

About 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one

2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one (PubChem CID 12675312) has the molecular formula C11H8OS2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one.

Molecular Properties

Compound Name2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one
PubChem CID12675312
Molecular FormulaC11H8OS2
Molecular Weight220.32 g/mol
Exact Mass220.00
IUPAC Name2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one
SMILESO=C1CCSc2c1sc1ccccc21
InChIInChI=1S/C11H8OS2/c12-8-5-6-13-10-7-3-1-2-4-9(7)14-11(8)10/h1-4H,5-6H2
InChIKeyTZXYRIOUBZZWEH-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one?
The IUPAC name of 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one (CID 12675312) is 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one.
What is the SMILES notation for 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one?
The canonical SMILES for 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one is O=C1CCSc2c1sc1ccccc21.
What is the InChIKey of 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one?
The InChIKey is TZXYRIOUBZZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS2/c12-8-5-6-13-10-7-3-1-2-4-9(7)14-11(8)10/h1-4H,5-6H2.
What are the key properties of 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one?
2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one has a molecular weight of 220.32 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-one is sourced from PubChem (CID 12675312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).