dibenzothiophen-3-amine

C12H7NS — CID 129172898

IUPACdibenzothiophen-3-amine
SMILESNc1ccc2c3c(sc2c1)=CC=C=C=3
InChIInChI=1S/C12H7NS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h2,4-7H,13H2
InChIKeyYWVPDKGGKKGSIU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.37
Rot. Bonds

About dibenzothiophen-3-amine

dibenzothiophen-3-amine (PubChem CID 129172898) has the molecular formula C12H7NS and a molecular weight of 197.26 g/mol. Its IUPAC name is dibenzothiophen-3-amine.

Molecular Properties

Compound Namedibenzothiophen-3-amine
PubChem CID129172898
Molecular FormulaC12H7NS
Molecular Weight197.26 g/mol
Exact Mass197.03
IUPAC Namedibenzothiophen-3-amine
SMILESNc1ccc2c3c(sc2c1)=CC=C=C=3
InChIInChI=1S/C12H7NS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h2,4-7H,13H2
InChIKeyYWVPDKGGKKGSIU-UHFFFAOYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-3-amine?
The IUPAC name of dibenzothiophen-3-amine (CID 129172898) is dibenzothiophen-3-amine.
What is the SMILES notation for dibenzothiophen-3-amine?
The canonical SMILES for dibenzothiophen-3-amine is Nc1ccc2c3c(sc2c1)=CC=C=C=3.
What is the InChIKey of dibenzothiophen-3-amine?
The InChIKey is YWVPDKGGKKGSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h2,4-7H,13H2.
What are the key properties of dibenzothiophen-3-amine?
dibenzothiophen-3-amine has a molecular weight of 197.26 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-3-amine is sourced from PubChem (CID 129172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).