dibenzothiophene

C12H8S — CID 3023

IUPACdibenzothiophene
SMILESc1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKeyIYYZUPMFVPLQIF-UHFFFAOYSA-N
MW184.26 g/mol
LogP4.05
Rot. Bonds

About dibenzothiophene

dibenzothiophene (PubChem CID 3023) has the molecular formula C12H8S and a molecular weight of 184.26 g/mol. Its IUPAC name is dibenzothiophene.

Molecular Properties

Compound Namedibenzothiophene
PubChem CID3023
Molecular FormulaC12H8S
Molecular Weight184.26 g/mol
Exact Mass184.03
IUPAC Namedibenzothiophene
SMILESc1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKeyIYYZUPMFVPLQIF-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzo(B)Thiophene-2-Boronic Acid
CID 2359
Benzo(B)Thiophene
CID 7221
Benzo(b)naphtho(2,1-d)thiophene
CID 9198
4,6-Dimethyldibenzothiophene
CID 71012
3-Phenylthiophene
CID 75473
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
Benzo[b]thiophene-3-acetonitrile
CID 76681
5-Methylbenzo(b)thiophene
CID 84346
2-(2-Naphthyl)-1-thiaindene
CID 253238
2-Bromodibenzothiophene
CID 299508
4-Bromodibenzothiophene
CID 458352

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene?
The IUPAC name of dibenzothiophene (CID 3023) is dibenzothiophene.
What is the SMILES notation for dibenzothiophene?
The canonical SMILES for dibenzothiophene is c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene?
The InChIKey is IYYZUPMFVPLQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H.
What are the key properties of dibenzothiophene?
dibenzothiophene has a molecular weight of 184.26 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene is sourced from PubChem (CID 3023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).