8,9-dihydrodibenzothiophen-2-amine

C12H11NS — CID 129172968

IUPAC8,9-dihydrodibenzothiophen-2-amine
SMILESNc1ccc2sc3c(c2c1)CCC=C3
InChIInChI=1S/C12H11NS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h2,4-7H,1,3,13H2
InChIKeyNRYIDEXMCXZITM-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.44
Rot. Bonds

About 8,9-dihydrodibenzothiophen-2-amine

8,9-dihydrodibenzothiophen-2-amine (PubChem CID 129172968) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 8,9-dihydrodibenzothiophen-2-amine.

Molecular Properties

Compound Name8,9-dihydrodibenzothiophen-2-amine
PubChem CID129172968
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name8,9-dihydrodibenzothiophen-2-amine
SMILESNc1ccc2sc3c(c2c1)CCC=C3
InChIInChI=1S/C12H11NS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h2,4-7H,1,3,13H2
InChIKeyNRYIDEXMCXZITM-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.44
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 8,9-dihydrodibenzothiophen-2-amine?
The IUPAC name of 8,9-dihydrodibenzothiophen-2-amine (CID 129172968) is 8,9-dihydrodibenzothiophen-2-amine.
What is the SMILES notation for 8,9-dihydrodibenzothiophen-2-amine?
The canonical SMILES for 8,9-dihydrodibenzothiophen-2-amine is Nc1ccc2sc3c(c2c1)CCC=C3.
What is the InChIKey of 8,9-dihydrodibenzothiophen-2-amine?
The InChIKey is NRYIDEXMCXZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h2,4-7H,1,3,13H2.
What are the key properties of 8,9-dihydrodibenzothiophen-2-amine?
8,9-dihydrodibenzothiophen-2-amine has a molecular weight of 201.29 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydrodibenzothiophen-2-amine is sourced from PubChem (CID 129172968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).