6-bromothianthren-2-amine

C12H8BrNS2 — CID 59797430

IUPAC6-bromothianthren-2-amine
SMILESNc1ccc2c(c1)Sc1cccc(Br)c1S2
InChIInChI=1S/C12H8BrNS2/c13-8-2-1-3-10-12(8)16-9-5-4-7(14)6-11(9)15-10/h1-6H,14H2
InChIKeyHOXYFCZDHZYODX-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.65
Rot. Bonds

About 6-bromothianthren-2-amine

6-bromothianthren-2-amine (PubChem CID 59797430) has the molecular formula C12H8BrNS2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-bromothianthren-2-amine.

Molecular Properties

Compound Name6-bromothianthren-2-amine
PubChem CID59797430
Molecular FormulaC12H8BrNS2
Molecular Weight310.24 g/mol
Exact Mass308.93
IUPAC Name6-bromothianthren-2-amine
SMILESNc1ccc2c(c1)Sc1cccc(Br)c1S2
InChIInChI=1S/C12H8BrNS2/c13-8-2-1-3-10-12(8)16-9-5-4-7(14)6-11(9)15-10/h1-6H,14H2
InChIKeyHOXYFCZDHZYODX-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
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 6-bromothianthren-2-amine?
The IUPAC name of 6-bromothianthren-2-amine (CID 59797430) is 6-bromothianthren-2-amine.
What is the SMILES notation for 6-bromothianthren-2-amine?
The canonical SMILES for 6-bromothianthren-2-amine is Nc1ccc2c(c1)Sc1cccc(Br)c1S2.
What is the InChIKey of 6-bromothianthren-2-amine?
The InChIKey is HOXYFCZDHZYODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNS2/c13-8-2-1-3-10-12(8)16-9-5-4-7(14)6-11(9)15-10/h1-6H,14H2.
What are the key properties of 6-bromothianthren-2-amine?
6-bromothianthren-2-amine has a molecular weight of 310.24 g/mol, XLogP of 4.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromothianthren-2-amine is sourced from PubChem (CID 59797430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).