7-chlorodibenzothiophen-2-amine

C12H8ClNS — CID 21439881

IUPAC7-chlorodibenzothiophen-2-amine
SMILESNc1ccc2sc3cc(Cl)ccc3c2c1
InChIInChI=1S/C12H8ClNS/c13-7-1-3-9-10-6-8(14)2-4-11(10)15-12(9)5-7/h1-6H,14H2
InChIKeyMFSSMEHNALBIPX-UHFFFAOYSA-N
MW233.72 g/mol
LogP4.29
Rot. Bonds

About 7-chlorodibenzothiophen-2-amine

7-chlorodibenzothiophen-2-amine (PubChem CID 21439881) has the molecular formula C12H8ClNS and a molecular weight of 233.72 g/mol. Its IUPAC name is 7-chlorodibenzothiophen-2-amine.

Molecular Properties

Compound Name7-chlorodibenzothiophen-2-amine
PubChem CID21439881
Molecular FormulaC12H8ClNS
Molecular Weight233.72 g/mol
Exact Mass233.01
IUPAC Name7-chlorodibenzothiophen-2-amine
SMILESNc1ccc2sc3cc(Cl)ccc3c2c1
InChIInChI=1S/C12H8ClNS/c13-7-1-3-9-10-6-8(14)2-4-11(10)15-12(9)5-7/h1-6H,14H2
InChIKeyMFSSMEHNALBIPX-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 54.29
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 7-chlorodibenzothiophen-2-amine?
The IUPAC name of 7-chlorodibenzothiophen-2-amine (CID 21439881) is 7-chlorodibenzothiophen-2-amine.
What is the SMILES notation for 7-chlorodibenzothiophen-2-amine?
The canonical SMILES for 7-chlorodibenzothiophen-2-amine is Nc1ccc2sc3cc(Cl)ccc3c2c1.
What is the InChIKey of 7-chlorodibenzothiophen-2-amine?
The InChIKey is MFSSMEHNALBIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNS/c13-7-1-3-9-10-6-8(14)2-4-11(10)15-12(9)5-7/h1-6H,14H2.
What are the key properties of 7-chlorodibenzothiophen-2-amine?
7-chlorodibenzothiophen-2-amine has a molecular weight of 233.72 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorodibenzothiophen-2-amine is sourced from PubChem (CID 21439881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).