3-bromo-2-(2-bromophenyl)-1-benzothiophene

C14H8Br2S — CID 102054316

IUPAC3-bromo-2-(2-bromophenyl)-1-benzothiophene
SMILESBrc1ccccc1-c1sc2ccccc2c1Br
InChIInChI=1S/C14H8Br2S/c15-11-7-3-1-5-9(11)14-13(16)10-6-2-4-8-12(10)17-14/h1-8H
InChIKeyLSEBXVUHHNUUBU-UHFFFAOYSA-N
MW368.09 g/mol
LogP6.09
Rot. Bonds1

About 3-bromo-2-(2-bromophenyl)-1-benzothiophene

3-bromo-2-(2-bromophenyl)-1-benzothiophene (PubChem CID 102054316) has the molecular formula C14H8Br2S and a molecular weight of 368.09 g/mol. Its IUPAC name is 3-bromo-2-(2-bromophenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-2-(2-bromophenyl)-1-benzothiophene
PubChem CID102054316
Molecular FormulaC14H8Br2S
Molecular Weight368.09 g/mol
Exact Mass365.87
IUPAC Name3-bromo-2-(2-bromophenyl)-1-benzothiophene
SMILESBrc1ccccc1-c1sc2ccccc2c1Br
InChIInChI=1S/C14H8Br2S/c15-11-7-3-1-5-9(11)14-13(16)10-6-2-4-8-12(10)17-14/h1-8H
InChIKeyLSEBXVUHHNUUBU-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.09
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-2-methyl-1-benzothiophene
CID 147947842
3-bromo-1-benzothiophene-2-thiol
CID 130235749
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
3-bromo-2-[(E)-2-bromoethenyl]-1-benzothiophene
CID 13119341
1-[3-(3-bromo-1-benzothiophen-2-yl)phenyl]ethanone
CID 132969062
4-(2-bromophenyl)-2-chloro-[1]benzothiolo[3,2-d]pyrimidine
CID 122490049
4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
CID 139338091
dibenzothiophene;methane
CID 162233710
3-(3-bromo-1-benzothiophen-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-oxide
CID 56839090
1-(2-bromophenyl)triphenylene
CID 134258474
4-(2-bromo-3-chlorophenyl)dibenzothiophene
CID 129023068
4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole
CID 144905413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-bromophenyl)-1-benzothiophene?
The IUPAC name of 3-bromo-2-(2-bromophenyl)-1-benzothiophene (CID 102054316) is 3-bromo-2-(2-bromophenyl)-1-benzothiophene.
What is the SMILES notation for 3-bromo-2-(2-bromophenyl)-1-benzothiophene?
The canonical SMILES for 3-bromo-2-(2-bromophenyl)-1-benzothiophene is Brc1ccccc1-c1sc2ccccc2c1Br.
What is the InChIKey of 3-bromo-2-(2-bromophenyl)-1-benzothiophene?
The InChIKey is LSEBXVUHHNUUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2S/c15-11-7-3-1-5-9(11)14-13(16)10-6-2-4-8-12(10)17-14/h1-8H.
What are the key properties of 3-bromo-2-(2-bromophenyl)-1-benzothiophene?
3-bromo-2-(2-bromophenyl)-1-benzothiophene has a molecular weight of 368.09 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-bromophenyl)-1-benzothiophene is sourced from PubChem (CID 102054316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).