2,3-dihydrocyclopenta[b][1]benzothiol-1-one

C11H8OS — CID 57349543

IUPAC2,3-dihydrocyclopenta[b][1]benzothiol-1-one
SMILESO=C1CCc2sc3ccccc3c21
InChIInChI=1S/C11H8OS/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4H,5-6H2
InChIKeyVUQNVBHDBXJWMA-UHFFFAOYSA-N
MW188.25 g/mol
LogP3.03
Rot. Bonds

About 2,3-dihydrocyclopenta[b][1]benzothiol-1-one

2,3-dihydrocyclopenta[b][1]benzothiol-1-one (PubChem CID 57349543) has the molecular formula C11H8OS and a molecular weight of 188.25 g/mol. Its IUPAC name is 2,3-dihydrocyclopenta[b][1]benzothiol-1-one.

Molecular Properties

Compound Name2,3-dihydrocyclopenta[b][1]benzothiol-1-one
PubChem CID57349543
Molecular FormulaC11H8OS
Molecular Weight188.25 g/mol
Exact Mass188.03
IUPAC Name2,3-dihydrocyclopenta[b][1]benzothiol-1-one
SMILESO=C1CCc2sc3ccccc3c21
InChIInChI=1S/C11H8OS/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4H,5-6H2
InChIKeyVUQNVBHDBXJWMA-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclopenta[b][1]benzothiol-1-one?
The IUPAC name of 2,3-dihydrocyclopenta[b][1]benzothiol-1-one (CID 57349543) is 2,3-dihydrocyclopenta[b][1]benzothiol-1-one.
What is the SMILES notation for 2,3-dihydrocyclopenta[b][1]benzothiol-1-one?
The canonical SMILES for 2,3-dihydrocyclopenta[b][1]benzothiol-1-one is O=C1CCc2sc3ccccc3c21.
What is the InChIKey of 2,3-dihydrocyclopenta[b][1]benzothiol-1-one?
The InChIKey is VUQNVBHDBXJWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4H,5-6H2.
What are the key properties of 2,3-dihydrocyclopenta[b][1]benzothiol-1-one?
2,3-dihydrocyclopenta[b][1]benzothiol-1-one has a molecular weight of 188.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclopenta[b][1]benzothiol-1-one is sourced from PubChem (CID 57349543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).