[1]benzothiolo[3,2-b]chromen-11-one

C15H8O2S — CID 11184312

IUPAC[1]benzothiolo[3,2-b]chromen-11-one
SMILESO=c1c2ccccc2oc2c1sc1ccccc12
InChIInChI=1S/C15H8O2S/c16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H
InChIKeyNSSHVNKMKULSMJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP4.16
Rot. Bonds

About [1]benzothiolo[3,2-b]chromen-11-one

[1]benzothiolo[3,2-b]chromen-11-one (PubChem CID 11184312) has the molecular formula C15H8O2S and a molecular weight of 252.29 g/mol. Its IUPAC name is [1]benzothiolo[3,2-b]chromen-11-one.

Molecular Properties

Compound Name[1]benzothiolo[3,2-b]chromen-11-one
PubChem CID11184312
Molecular FormulaC15H8O2S
Molecular Weight252.29 g/mol
Exact Mass252.02
IUPAC Name[1]benzothiolo[3,2-b]chromen-11-one
SMILESO=c1c2ccccc2oc2c1sc1ccccc12
InChIInChI=1S/C15H8O2S/c16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H
InChIKeyNSSHVNKMKULSMJ-UHFFFAOYSA-N
XLogP4.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-b]chromen-11-one?
The IUPAC name of [1]benzothiolo[3,2-b]chromen-11-one (CID 11184312) is [1]benzothiolo[3,2-b]chromen-11-one.
What is the SMILES notation for [1]benzothiolo[3,2-b]chromen-11-one?
The canonical SMILES for [1]benzothiolo[3,2-b]chromen-11-one is O=c1c2ccccc2oc2c1sc1ccccc12.
What is the InChIKey of [1]benzothiolo[3,2-b]chromen-11-one?
The InChIKey is NSSHVNKMKULSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O2S/c16-13-9-5-1-3-7-11(9)17-14-10-6-2-4-8-12(10)18-15(13)14/h1-8H.
What are the key properties of [1]benzothiolo[3,2-b]chromen-11-one?
[1]benzothiolo[3,2-b]chromen-11-one has a molecular weight of 252.29 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-b]chromen-11-one is sourced from PubChem (CID 11184312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).