[1]benzothiolo[2,3-f][1]benzofuran-1-one

C14H8O2S — CID 59766139

IUPAC[1]benzothiolo[2,3-f][1]benzofuran-1-one
SMILESO=C1COc2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C14H8O2S/c15-11-7-16-12-5-9-8-3-1-2-4-13(8)17-14(9)6-10(11)12/h1-6H,7H2
InChIKeyRRVSCUGLUOJGHW-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.63
Rot. Bonds

About [1]benzothiolo[2,3-f][1]benzofuran-1-one

[1]benzothiolo[2,3-f][1]benzofuran-1-one (PubChem CID 59766139) has the molecular formula C14H8O2S and a molecular weight of 240.28 g/mol. Its IUPAC name is [1]benzothiolo[2,3-f][1]benzofuran-1-one.

Molecular Properties

Compound Name[1]benzothiolo[2,3-f][1]benzofuran-1-one
PubChem CID59766139
Molecular FormulaC14H8O2S
Molecular Weight240.28 g/mol
Exact Mass240.02
IUPAC Name[1]benzothiolo[2,3-f][1]benzofuran-1-one
SMILESO=C1COc2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C14H8O2S/c15-11-7-16-12-5-9-8-3-1-2-4-13(8)17-14(9)6-10(11)12/h1-6H,7H2
InChIKeyRRVSCUGLUOJGHW-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[1]benzothiolo[3,2-b]furan-3-one
CID 14958806
11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole
CID 134951184
dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene;methane
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11-thianonacyclo[25.11.0.02,14.04,12.05,10.015,20.021,26.029,37.031,36]octatriaconta-1(27),2(14),3,5,7,9,12,15,17,19,21,23,25,28,31,33,35,37-octadecaene
CID 118655955
1-benzofuran-3-one;ethane
CID 90876800
naphtho[2,3-b]thioxanthene-7,12,14-trione
CID 71049201
7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
CID 169030116
3-dibenzothiophen-2-yl-3H-2-benzofuran-1-one
CID 102227157
bis(dibenzothiophene);ethane
CID 143921746
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-f][1]benzofuran-1-one?
The IUPAC name of [1]benzothiolo[2,3-f][1]benzofuran-1-one (CID 59766139) is [1]benzothiolo[2,3-f][1]benzofuran-1-one.
What is the SMILES notation for [1]benzothiolo[2,3-f][1]benzofuran-1-one?
The canonical SMILES for [1]benzothiolo[2,3-f][1]benzofuran-1-one is O=C1COc2cc3c(cc21)sc1ccccc13.
What is the InChIKey of [1]benzothiolo[2,3-f][1]benzofuran-1-one?
The InChIKey is RRVSCUGLUOJGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2S/c15-11-7-16-12-5-9-8-3-1-2-4-13(8)17-14(9)6-10(11)12/h1-6H,7H2.
What are the key properties of [1]benzothiolo[2,3-f][1]benzofuran-1-one?
[1]benzothiolo[2,3-f][1]benzofuran-1-one has a molecular weight of 240.28 g/mol, XLogP of 3.63, 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-f][1]benzofuran-1-one is sourced from PubChem (CID 59766139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).