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

C17H10O2S — CID 13120052

IUPAC1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one
SMILESO=c1cc2c(sc3ccccc32)c(-c2ccccc2)o1
InChIInChI=1S/C17H10O2S/c18-15-10-13-12-8-4-5-9-14(12)20-17(13)16(19-15)11-6-2-1-3-7-11/h1-10H
InChIKeyCUSZRGUFFLCUAO-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.67
Rot. Bonds1

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

1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one (PubChem CID 13120052) has the molecular formula C17H10O2S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one.

Molecular Properties

Compound Name1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one
PubChem CID13120052
Molecular FormulaC17H10O2S
Molecular Weight278.33 g/mol
Exact Mass278.04
IUPAC Name1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one
SMILESO=c1cc2c(sc3ccccc32)c(-c2ccccc2)o1
InChIInChI=1S/C17H10O2S/c18-15-10-13-12-8-4-5-9-14(12)20-17(13)16(19-15)11-6-2-1-3-7-11/h1-10H
InChIKeyCUSZRGUFFLCUAO-UHFFFAOYSA-N
XLogP4.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one?
The IUPAC name of 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one (CID 13120052) is 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one.
What is the SMILES notation for 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one?
The canonical SMILES for 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one is O=c1cc2c(sc3ccccc32)c(-c2ccccc2)o1.
What is the InChIKey of 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one?
The InChIKey is CUSZRGUFFLCUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2S/c18-15-10-13-12-8-4-5-9-14(12)20-17(13)16(19-15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one?
1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one has a molecular weight of 278.33 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-[1]benzothiolo[2,3-c]pyran-3-one is sourced from PubChem (CID 13120052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).