dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone

C19H12O4S2 — CID 58978710

IUPACdibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc2sc3ccccc3c2c1)c1ccccc1SOOO
InChIInChI=1S/C19H12O4S2/c20-19(14-6-2-4-8-18(14)25-23-22-21)12-9-10-17-15(11-12)13-5-1-3-7-16(13)24-17/h1-11,21H
InChIKeyKSPCANGFOFCTFD-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.71
Rot. Bonds5

About dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone

dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone (PubChem CID 58978710) has the molecular formula C19H12O4S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Namedibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone
PubChem CID58978710
Molecular FormulaC19H12O4S2
Molecular Weight368.44 g/mol
Exact Mass368.02
IUPAC Namedibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone
SMILESO=C(c1ccc2sc3ccccc3c2c1)c1ccccc1SOOO
InChIInChI=1S/C19H12O4S2/c20-19(14-6-2-4-8-18(14)25-23-22-21)12-9-10-17-15(11-12)13-5-1-3-7-16(13)24-17/h1-11,21H
InChIKeyKSPCANGFOFCTFD-UHFFFAOYSA-N
XLogP5.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
CID 71619385
[8-(dibenzothiophene-4-carbonyl)dibenzothiophen-2-yl]-(8,9-dihydrodibenzothiophen-4-yl)methanone
CID 91599500
1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone
CID 170895942
dibenzothiophene-2,8-dicarboxylic acid
CID 4739374
3-(dibenzothiophene-2-carbonyl)oxirane-2-carboxylic acid
CID 15717722
ethyl 2-dibenzothiophen-2-yl-4-methylpent-2-enoate
CID 163662457
9-oxothioxanthene-3-carboxamide
CID 10848607
dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 147737150
1-methyl-4-(trioxidanylsulfanyl)naphthalene
CID 20704922
dibenzothiophene;formaldehyde
CID 20556925
4-[(E)-2-dibenzothiophen-2-yl-2-[4-(N-phenylanilino)phenyl]-1-(4-phenylsulfanylphenyl)ethenyl]-N,N-diphenylaniline
CID 164930029
1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
CID 170861445

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone?
The IUPAC name of dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone (CID 58978710) is dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone.
What is the SMILES notation for dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone?
The canonical SMILES for dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone is O=C(c1ccc2sc3ccccc3c2c1)c1ccccc1SOOO.
What is the InChIKey of dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone?
The InChIKey is KSPCANGFOFCTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O4S2/c20-19(14-6-2-4-8-18(14)25-23-22-21)12-9-10-17-15(11-12)13-5-1-3-7-16(13)24-17/h1-11,21H.
What are the key properties of dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone?
dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone has a molecular weight of 368.44 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone is sourced from PubChem (CID 58978710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).