5-bromo-1-benzothiophene

C8H5BrS — CID 2776578

IUPAC5-bromo-1-benzothiophene
SMILESBrc1ccc2sccc2c1
InChIInChI=1S/C8H5BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKeyRDSIMGKJEYNNLF-UHFFFAOYSA-N
MW213.10 g/mol
LogP3.66
Rot. Bonds

About 5-bromo-1-benzothiophene

5-bromo-1-benzothiophene (PubChem CID 2776578) has the molecular formula C8H5BrS and a molecular weight of 213.10 g/mol. Its IUPAC name is 5-bromo-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-1-benzothiophene
PubChem CID2776578
Molecular FormulaC8H5BrS
Molecular Weight213.10 g/mol
Exact Mass211.93
IUPAC Name5-bromo-1-benzothiophene
SMILESBrc1ccc2sccc2c1
InChIInChI=1S/C8H5BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKeyRDSIMGKJEYNNLF-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-1-benzothiophene
CID 12744400
8-bromobenzo[e][1]benzothiole
CID 821946
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
2-(1-benzothiophen-5-ylamino)-4-bromobenzonitrile
CID 114901953
5-bromo-1-benzothiophene;1-[(3-bromophenyl)methyl]piperazine
CID 174945955
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
N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528371
5-bromo-1-benzothiophene;ethyl 2-(1-benzothiophen-5-yl)-2-cyanoacetate
CID 158317393
2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide
CID 60706018
1-benzothiophen-5-yl(oxo)azanium
CID 163853586
2-[1-(1-benzothiophen-5-ylamino)propyl]-4-bromophenol
CID 43687860
2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde
CID 87677672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-benzothiophene?
The IUPAC name of 5-bromo-1-benzothiophene (CID 2776578) is 5-bromo-1-benzothiophene.
What is the SMILES notation for 5-bromo-1-benzothiophene?
The canonical SMILES for 5-bromo-1-benzothiophene is Brc1ccc2sccc2c1.
What is the InChIKey of 5-bromo-1-benzothiophene?
The InChIKey is RDSIMGKJEYNNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H.
What are the key properties of 5-bromo-1-benzothiophene?
5-bromo-1-benzothiophene has a molecular weight of 213.10 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-benzothiophene is sourced from PubChem (CID 2776578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).