1-(9-sulfanylidenexanthen-2-yl)ethanone

C15H10O2S — CID 88754830

IUPAC1-(9-sulfanylidenexanthen-2-yl)ethanone
SMILESCC(=O)c1ccc2oc3ccccc3c(=S)c2c1
InChIInChI=1S/C15H10O2S/c1-9(16)10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)17-14/h2-8H,1H3
InChIKeyKJKBJJXXSODPEC-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.52
Rot. Bonds1

About 1-(9-sulfanylidenexanthen-2-yl)ethanone

1-(9-sulfanylidenexanthen-2-yl)ethanone (PubChem CID 88754830) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(9-sulfanylidenexanthen-2-yl)ethanone.

Molecular Properties

Compound Name1-(9-sulfanylidenexanthen-2-yl)ethanone
PubChem CID88754830
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name1-(9-sulfanylidenexanthen-2-yl)ethanone
SMILESCC(=O)c1ccc2oc3ccccc3c(=S)c2c1
InChIInChI=1S/C15H10O2S/c1-9(16)10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)17-14/h2-8H,1H3
InChIKeyKJKBJJXXSODPEC-UHFFFAOYSA-N
XLogP4.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
2-prop-1-en-2-yldibenzofuran
CID 142504770
methyl dibenzofuran-2-carboxylate
CID 3702628
1-naphtho[2,1-b][1]benzofuran-9-ylethanone
CID 170226949
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790
3-methylxanthene-9-thione
CID 57266652
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
2-sulfanylxanthene-9-thione;trifluoromethanesulfonic acid
CID 173155605
2-(4-acetylphenyl)chromen-4-one
CID 66553887
2-benzylxanthene-9-thione
CID 88726523
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783

Frequently Asked Questions

What is the IUPAC name of 1-(9-sulfanylidenexanthen-2-yl)ethanone?
The IUPAC name of 1-(9-sulfanylidenexanthen-2-yl)ethanone (CID 88754830) is 1-(9-sulfanylidenexanthen-2-yl)ethanone.
What is the SMILES notation for 1-(9-sulfanylidenexanthen-2-yl)ethanone?
The canonical SMILES for 1-(9-sulfanylidenexanthen-2-yl)ethanone is CC(=O)c1ccc2oc3ccccc3c(=S)c2c1.
What is the InChIKey of 1-(9-sulfanylidenexanthen-2-yl)ethanone?
The InChIKey is KJKBJJXXSODPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c1-9(16)10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)17-14/h2-8H,1H3.
What are the key properties of 1-(9-sulfanylidenexanthen-2-yl)ethanone?
1-(9-sulfanylidenexanthen-2-yl)ethanone has a molecular weight of 254.31 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-sulfanylidenexanthen-2-yl)ethanone is sourced from PubChem (CID 88754830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).