2,5-dibromo-1-benzothiophen-7-amine

C8H5Br2NS — CID 130870284

IUPAC2,5-dibromo-1-benzothiophen-7-amine
SMILESNc1cc(Br)cc2cc(Br)sc12
InChIInChI=1S/C8H5Br2NS/c9-5-1-4-2-7(10)12-8(4)6(11)3-5/h1-3H,11H2
InChIKeyJIMFXOCRQBJJCC-UHFFFAOYSA-N
MW307.01 g/mol
LogP4.01
Rot. Bonds

About 2,5-dibromo-1-benzothiophen-7-amine

2,5-dibromo-1-benzothiophen-7-amine (PubChem CID 130870284) has the molecular formula C8H5Br2NS and a molecular weight of 307.01 g/mol. Its IUPAC name is 2,5-dibromo-1-benzothiophen-7-amine.

Molecular Properties

Compound Name2,5-dibromo-1-benzothiophen-7-amine
PubChem CID130870284
Molecular FormulaC8H5Br2NS
Molecular Weight307.01 g/mol
Exact Mass304.85
IUPAC Name2,5-dibromo-1-benzothiophen-7-amine
SMILESNc1cc(Br)cc2cc(Br)sc12
InChIInChI=1S/C8H5Br2NS/c9-5-1-4-2-7(10)12-8(4)6(11)3-5/h1-3H,11H2
InChIKeyJIMFXOCRQBJJCC-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.01
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-bromo-1-benzothiophene-7-carbonitrile
CID 130961162
7-amino-5-sulfanyl-1-benzothiophen-2-ol
CID 130821031
7-amino-2-methoxy-1-benzothiophene-5-thiol
CID 131123892
17-bromo-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
CID 122463029
2-chloro-1-benzothiophene-5,7-diamine
CID 131080471
5,7-dibromo-1-benzothiophen-2-ol
CID 131059860
2,6-dibromothieno[3,2-f][1]benzothiole
CID 91659146
4,11-dibromo-3,12-dithia-7-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,10-pentaene
CID 138481108
2-bromo-6,7-diiodo-1-benzothiophene
CID 131138066
7-amino-5-fluoro-1-benzothiophen-2-ol
CID 131169647
2-bromo-7-iodo-1-benzothiophene-5-carbonitrile
CID 130969280
2,5-dibromoselenopheno[2,3-b]thiophene
CID 12543644

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-benzothiophen-7-amine?
The IUPAC name of 2,5-dibromo-1-benzothiophen-7-amine (CID 130870284) is 2,5-dibromo-1-benzothiophen-7-amine.
What is the SMILES notation for 2,5-dibromo-1-benzothiophen-7-amine?
The canonical SMILES for 2,5-dibromo-1-benzothiophen-7-amine is Nc1cc(Br)cc2cc(Br)sc12.
What is the InChIKey of 2,5-dibromo-1-benzothiophen-7-amine?
The InChIKey is JIMFXOCRQBJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NS/c9-5-1-4-2-7(10)12-8(4)6(11)3-5/h1-3H,11H2.
What are the key properties of 2,5-dibromo-1-benzothiophen-7-amine?
2,5-dibromo-1-benzothiophen-7-amine has a molecular weight of 307.01 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-benzothiophen-7-amine is sourced from PubChem (CID 130870284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).