dibenzothiophene 5-oxide

C12H8OS — CID 13898

IUPACdibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2ccccc21
InChIInChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKeyNGDPCAMPVQYGCW-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.83
Rot. Bonds

About dibenzothiophene 5-oxide

dibenzothiophene 5-oxide (PubChem CID 13898) has the molecular formula C12H8OS and a molecular weight of 200.26 g/mol. Its IUPAC name is dibenzothiophene 5-oxide.

Molecular Properties

Compound Namedibenzothiophene 5-oxide
PubChem CID13898
Molecular FormulaC12H8OS
Molecular Weight200.26 g/mol
Exact Mass200.03
IUPAC Namedibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2ccccc21
InChIInChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKeyNGDPCAMPVQYGCW-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

p-Tolyl sulfoxide
CID 15680
Benzyl phenyl sulfoxide
CID 239581
Dibenzothiophene sulfone
CID 13908
2,3-Dihydro-1lambda6-benzothiophene-1,1-dione
CID 284423
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
5-(Trifluoromethyl)-5H-dibenzo[B,D]thiophen-5-ium tetrafluoroborate
CID 2777504
5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
CID 2777507
(+)-2,3-Dihydro-2-methylbenzo(B)thiophene-1,1-dioxide
CID 4252604
1-Benzothiophene 1-oxide
CID 5383918
1-Ethylsulfonyl-2-phenylbenzene
CID 58553001
1-Fluoro-2-(2-methylsulfonylphenyl)benzene
CID 69584348

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene 5-oxide?
The IUPAC name of dibenzothiophene 5-oxide (CID 13898) is dibenzothiophene 5-oxide.
What is the SMILES notation for dibenzothiophene 5-oxide?
The canonical SMILES for dibenzothiophene 5-oxide is O=S1c2ccccc2-c2ccccc21.
What is the InChIKey of dibenzothiophene 5-oxide?
The InChIKey is NGDPCAMPVQYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H.
What are the key properties of dibenzothiophene 5-oxide?
dibenzothiophene 5-oxide has a molecular weight of 200.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene 5-oxide is sourced from PubChem (CID 13898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).