3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene

C10H6Br2S — CID 13119341

IUPAC3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene
SMILESBr/C=C/c1sc2ccccc2c1Br
InChIInChI=1S/C10H6Br2S/c11-6-5-9-10(12)7-3-1-2-4-8(7)13-9/h1-6H/b6-5+
InChIKeyAAILCUMPYMKDHF-AATRIKPKSA-N
MW318.03 g/mol
LogP5.03
Rot. Bonds1

About 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene

3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene (PubChem CID 13119341) has the molecular formula C10H6Br2S and a molecular weight of 318.03 g/mol. Its IUPAC name is 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene
PubChem CID13119341
Molecular FormulaC10H6Br2S
Molecular Weight318.03 g/mol
Exact Mass315.86
IUPAC Name3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene
SMILESBr/C=C/c1sc2ccccc2c1Br
InChIInChI=1S/C10H6Br2S/c11-6-5-9-10(12)7-3-1-2-4-8(7)13-9/h1-6H/b6-5+
InChIKeyAAILCUMPYMKDHF-AATRIKPKSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.03
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1-benzothiophene-2-thiol
CID 130235749
(NE)-N-[(3-bromo-1-benzothiophen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 177391574
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
3-bromo-2-(2-bromophenyl)-1-benzothiophene
CID 102054316
dibenzothiophene;methane
CID 162233710
bis(dibenzothiophene);ethane
CID 143921746
2-formylbenzo[b]thiophene-3-selenol
CID 12506015
1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
CID 11355956
3-bromo-2-methylthiochromen-4-one
CID 119090270
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
dibenzothiophene;formaldehyde
CID 20556925
3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
CID 153139876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene?
The IUPAC name of 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene (CID 13119341) is 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene.
What is the SMILES notation for 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene?
The canonical SMILES for 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene is Br/C=C/c1sc2ccccc2c1Br.
What is the InChIKey of 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene?
The InChIKey is AAILCUMPYMKDHF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H6Br2S/c11-6-5-9-10(12)7-3-1-2-4-8(7)13-9/h1-6H/b6-5+.
What are the key properties of 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene?
3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene has a molecular weight of 318.03 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene is sourced from PubChem (CID 13119341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).