1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone

C15H8Br2OS — CID 114023487

IUPAC1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1csc2ccccc12
InChIInChI=1S/C15H8Br2OS/c16-10-5-9(6-11(17)7-10)15(18)13-8-19-14-4-2-1-3-12(13)14/h1-8H
InChIKeyBNVSMHRNJICMEZ-UHFFFAOYSA-N
MW396.10 g/mol
LogP5.66
Rot. Bonds2

About 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone

1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone (PubChem CID 114023487) has the molecular formula C15H8Br2OS and a molecular weight of 396.10 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
PubChem CID114023487
Molecular FormulaC15H8Br2OS
Molecular Weight396.10 g/mol
Exact Mass393.87
IUPAC Name1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1csc2ccccc12
InChIInChI=1S/C15H8Br2OS/c16-10-5-9(6-11(17)7-10)15(18)13-8-19-14-4-2-1-3-12(13)14/h1-8H
InChIKeyBNVSMHRNJICMEZ-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.10
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(2,4-dibromophenyl)methanone
CID 114019722
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 113395873
1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone
CID 107998244
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
1-(1-benzothiophen-3-yl)-5-bromopentan-1-one
CID 146011096
(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
CID 107976832
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
1-benzothiophen-3-yl-(2-methylfuran-3-yl)methanone
CID 43463414
ethyl 1-benzothiophene-3-carboxylate
CID 898679
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone (CID 114023487) is 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone is O=C(c1cc(Br)cc(Br)c1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone?
The InChIKey is BNVSMHRNJICMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2OS/c16-10-5-9(6-11(17)7-10)15(18)13-8-19-14-4-2-1-3-12(13)14/h1-8H.
What are the key properties of 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone?
1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone has a molecular weight of 396.10 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 114023487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).