(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone

C13H7BrOS2 — CID 81142488

IUPAC(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1csc2c(Br)cccc12
InChIInChI=1S/C13H7BrOS2/c14-11-3-1-2-9-10(7-17-13(9)11)12(15)8-4-5-16-6-8/h1-7H
InChIKeyJXVBYPLKIQFPNO-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.96
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone

(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone (PubChem CID 81142488) has the molecular formula C13H7BrOS2 and a molecular weight of 323.24 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone
PubChem CID81142488
Molecular FormulaC13H7BrOS2
Molecular Weight323.24 g/mol
Exact Mass321.91
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1csc2c(Br)cccc12
InChIInChI=1S/C13H7BrOS2/c14-11-3-1-2-9-10(7-17-13(9)11)12(15)8-4-5-16-6-8/h1-7H
InChIKeyJXVBYPLKIQFPNO-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone
CID 81142563
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone
CID 103219795
(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
CID 81141972
(7-bromo-1-benzothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanone
CID 81131811
1-(7-bromo-1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
CID 81429856
(7-bromo-1-benzothiophen-3-yl)-(2,4-diaminophenyl)methanone
CID 81148188
1-(7-bromo-1-benzothiophen-3-yl)-3-chloropropan-1-one
CID 104645888
(3-amino-2,6-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 81129607
(3-amino-2,5-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 107123742
(7-bromo-1-benzothiophen-3-yl)-cycloheptylmethanone
CID 81142341
1-(7-bromo-1-benzothiophen-3-yl)-2-(4-bromophenyl)ethanone
CID 81141825
1-(7-bromo-1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-one
CID 81142486

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone (CID 81142488) is (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone?
The InChIKey is JXVBYPLKIQFPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrOS2/c14-11-3-1-2-9-10(7-17-13(9)11)12(15)8-4-5-16-6-8/h1-7H.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone?
(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone has a molecular weight of 323.24 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 81142488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).