[1]benzothiolo[2,3-c]pyran-3-one

C11H6O2S — CID 14638055

IUPAC[1]benzothiolo[2,3-c]pyran-3-one
SMILESO=c1cc2c(co1)sc1ccccc12
InChIInChI=1S/C11H6O2S/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6H
InChIKeyZRJCZVVATMNGGD-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.01
Rot. Bonds

About [1]benzothiolo[2,3-c]pyran-3-one

[1]benzothiolo[2,3-c]pyran-3-one (PubChem CID 14638055) has the molecular formula C11H6O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyran-3-one.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyran-3-one
PubChem CID14638055
Molecular FormulaC11H6O2S
Molecular Weight202.23 g/mol
Exact Mass202.01
IUPAC Name[1]benzothiolo[2,3-c]pyran-3-one
SMILESO=c1cc2c(co1)sc1ccccc12
InChIInChI=1S/C11H6O2S/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6H
InChIKeyZRJCZVVATMNGGD-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]pyran-3-one?
The IUPAC name of [1]benzothiolo[2,3-c]pyran-3-one (CID 14638055) is [1]benzothiolo[2,3-c]pyran-3-one.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyran-3-one?
The canonical SMILES for [1]benzothiolo[2,3-c]pyran-3-one is O=c1cc2c(co1)sc1ccccc12.
What is the InChIKey of [1]benzothiolo[2,3-c]pyran-3-one?
The InChIKey is ZRJCZVVATMNGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O2S/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6H.
What are the key properties of [1]benzothiolo[2,3-c]pyran-3-one?
[1]benzothiolo[2,3-c]pyran-3-one has a molecular weight of 202.23 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]pyran-3-one is sourced from PubChem (CID 14638055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).