8,9-dihydrodibenzothiophene-3,4-diamine

C12H12N2S — CID 70651864

IUPAC8,9-dihydrodibenzothiophene-3,4-diamine
SMILESNc1ccc2c3c(sc2c1N)C=CCC3
InChIInChI=1S/C12H12N2S/c13-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)14/h2,4-6H,1,3,13-14H2
InChIKeyYFHWUAZCYJQOMD-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.03
Rot. Bonds

About 8,9-dihydrodibenzothiophene-3,4-diamine

8,9-dihydrodibenzothiophene-3,4-diamine (PubChem CID 70651864) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 8,9-dihydrodibenzothiophene-3,4-diamine.

Molecular Properties

Compound Name8,9-dihydrodibenzothiophene-3,4-diamine
PubChem CID70651864
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name8,9-dihydrodibenzothiophene-3,4-diamine
SMILESNc1ccc2c3c(sc2c1N)C=CCC3
InChIInChI=1S/C12H12N2S/c13-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)14/h2,4-6H,1,3,13-14H2
InChIKeyYFHWUAZCYJQOMD-UHFFFAOYSA-N
XLogP3.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydrodibenzothiophene-3,4-diamine?
The IUPAC name of 8,9-dihydrodibenzothiophene-3,4-diamine (CID 70651864) is 8,9-dihydrodibenzothiophene-3,4-diamine.
What is the SMILES notation for 8,9-dihydrodibenzothiophene-3,4-diamine?
The canonical SMILES for 8,9-dihydrodibenzothiophene-3,4-diamine is Nc1ccc2c3c(sc2c1N)C=CCC3.
What is the InChIKey of 8,9-dihydrodibenzothiophene-3,4-diamine?
The InChIKey is YFHWUAZCYJQOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)14/h2,4-6H,1,3,13-14H2.
What are the key properties of 8,9-dihydrodibenzothiophene-3,4-diamine?
8,9-dihydrodibenzothiophene-3,4-diamine has a molecular weight of 216.31 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydrodibenzothiophene-3,4-diamine is sourced from PubChem (CID 70651864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).