dibenzothiophene-1-diazonium

C12H7N2S+ — CID 71331695

IUPACdibenzothiophene-1-diazonium
SMILESN#[N+]c1cccc2sc3ccccc3c12
InChIInChI=1S/C12H7N2S/c13-14-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-7H/q+1
InChIKeySTFAODMQTXEGDM-UHFFFAOYSA-N
MW211.27 g/mol
LogP4.54
Rot. Bonds

About dibenzothiophene-1-diazonium

dibenzothiophene-1-diazonium (PubChem CID 71331695) has the molecular formula C12H7N2S+ and a molecular weight of 211.27 g/mol. Its IUPAC name is dibenzothiophene-1-diazonium.

Molecular Properties

Compound Namedibenzothiophene-1-diazonium
PubChem CID71331695
Molecular FormulaC12H7N2S+
Molecular Weight211.27 g/mol
Exact Mass211.03
IUPAC Namedibenzothiophene-1-diazonium
SMILESN#[N+]c1cccc2sc3ccccc3c12
InChIInChI=1S/C12H7N2S/c13-14-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-7H/q+1
InChIKeySTFAODMQTXEGDM-UHFFFAOYSA-N
XLogP4.54
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyldibenzothiophene
CID 23839
dibenzothiophene;methane
CID 162233710
bis(dibenzothiophene);ethane
CID 143921746
1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455
1-phenyldibenzothiophene;hydrobromide
CID 174679709
dibenzothiophene;formaldehyde
CID 20556925
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
1-(methoxymethyl)dibenzothiophene
CID 174808935
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
(4-dibenzothiophen-1-ylphenyl)methanamine
CID 153362309

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene-1-diazonium?
The IUPAC name of dibenzothiophene-1-diazonium (CID 71331695) is dibenzothiophene-1-diazonium.
What is the SMILES notation for dibenzothiophene-1-diazonium?
The canonical SMILES for dibenzothiophene-1-diazonium is N#[N+]c1cccc2sc3ccccc3c12.
What is the InChIKey of dibenzothiophene-1-diazonium?
The InChIKey is STFAODMQTXEGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N2S/c13-14-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-7H/q+1.
What are the key properties of dibenzothiophene-1-diazonium?
dibenzothiophene-1-diazonium has a molecular weight of 211.27 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene-1-diazonium is sourced from PubChem (CID 71331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).