6-bromo-7-iodo-1-benzothiophen-3-amine

C8H5BrINS — CID 130985110

IUPAC6-bromo-7-iodo-1-benzothiophen-3-amine
SMILESNc1csc2c(I)c(Br)ccc12
InChIInChI=1S/C8H5BrINS/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-3H,11H2
InChIKeyWJMNFTVOSCIIOU-UHFFFAOYSA-N
MW354.01 g/mol
LogP3.85
Rot. Bonds

About 6-bromo-7-iodo-1-benzothiophen-3-amine

6-bromo-7-iodo-1-benzothiophen-3-amine (PubChem CID 130985110) has the molecular formula C8H5BrINS and a molecular weight of 354.01 g/mol. Its IUPAC name is 6-bromo-7-iodo-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-bromo-7-iodo-1-benzothiophen-3-amine
PubChem CID130985110
Molecular FormulaC8H5BrINS
Molecular Weight354.01 g/mol
Exact Mass352.84
IUPAC Name6-bromo-7-iodo-1-benzothiophen-3-amine
SMILESNc1csc2c(I)c(Br)ccc12
InChIInChI=1S/C8H5BrINS/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-3H,11H2
InChIKeyWJMNFTVOSCIIOU-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.01
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-iodo-1-benzothiophen-3-amine?
The IUPAC name of 6-bromo-7-iodo-1-benzothiophen-3-amine (CID 130985110) is 6-bromo-7-iodo-1-benzothiophen-3-amine.
What is the SMILES notation for 6-bromo-7-iodo-1-benzothiophen-3-amine?
The canonical SMILES for 6-bromo-7-iodo-1-benzothiophen-3-amine is Nc1csc2c(I)c(Br)ccc12.
What is the InChIKey of 6-bromo-7-iodo-1-benzothiophen-3-amine?
The InChIKey is WJMNFTVOSCIIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrINS/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-3H,11H2.
What are the key properties of 6-bromo-7-iodo-1-benzothiophen-3-amine?
6-bromo-7-iodo-1-benzothiophen-3-amine has a molecular weight of 354.01 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-iodo-1-benzothiophen-3-amine is sourced from PubChem (CID 130985110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).