5-bromo-1-benzothiophen-4-amine

C8H6BrNS — CID 82373133

IUPAC5-bromo-1-benzothiophen-4-amine
SMILESNc1c(Br)ccc2sccc12
InChIInChI=1S/C8H6BrNS/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4H,10H2
InChIKeyJMXDADCXPLOFDR-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.25
Rot. Bonds

About 5-bromo-1-benzothiophen-4-amine

5-bromo-1-benzothiophen-4-amine (PubChem CID 82373133) has the molecular formula C8H6BrNS and a molecular weight of 228.11 g/mol. Its IUPAC name is 5-bromo-1-benzothiophen-4-amine.

Molecular Properties

Compound Name5-bromo-1-benzothiophen-4-amine
PubChem CID82373133
Molecular FormulaC8H6BrNS
Molecular Weight228.11 g/mol
Exact Mass226.94
IUPAC Name5-bromo-1-benzothiophen-4-amine
SMILESNc1c(Br)ccc2sccc12
InChIInChI=1S/C8H6BrNS/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4H,10H2
InChIKeyJMXDADCXPLOFDR-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 53.25
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

3,6-dibromobenzene-1,2-diamine
CID 159857959
4-bromo-5-methyl-1-benzothiophene
CID 119087972
5-amino-4-bromo-1-benzothiophen-6-ol
CID 130941897
8-bromobenzo[e][1]benzothiole
CID 821946
4-bromo-7-deuterio-1-benzothiophene
CID 175846645
4-bromothieno[2,3-c]pyridine
CID 18516346
thieno[3,2-e][1]benzofuran-2-amine
CID 69036959
4-bromo-5-chloro-1-benzothiophen-6-amine
CID 130925603
4-amino-5-sulfanyl-1-benzothiophen-6-ol
CID 130971922
4-amino-6-iodo-1-benzothiophene-5-thiol
CID 130821173
2-bromonaphthalen-1-amine
CID 10889478
19-bromo-6-thiapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16(21),17,19-decaene
CID 71560472

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-benzothiophen-4-amine?
The IUPAC name of 5-bromo-1-benzothiophen-4-amine (CID 82373133) is 5-bromo-1-benzothiophen-4-amine.
What is the SMILES notation for 5-bromo-1-benzothiophen-4-amine?
The canonical SMILES for 5-bromo-1-benzothiophen-4-amine is Nc1c(Br)ccc2sccc12.
What is the InChIKey of 5-bromo-1-benzothiophen-4-amine?
The InChIKey is JMXDADCXPLOFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4H,10H2.
What are the key properties of 5-bromo-1-benzothiophen-4-amine?
5-bromo-1-benzothiophen-4-amine has a molecular weight of 228.11 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-benzothiophen-4-amine is sourced from PubChem (CID 82373133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).