3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene

C10H6BrClS2 — CID 901463

IUPAC3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene
SMILESClc1sccc1/C=C/c1cscc1Br
InChIInChI=1S/C10H6BrClS2/c11-9-6-13-5-8(9)2-1-7-3-4-14-10(7)12/h1-6H/b2-1+
InChIKeyFBDIZLHLEWCBOG-OWOJBTEDSA-N
MW305.65 g/mol
LogP5.40
Rot. Bonds2

About 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene

3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene (PubChem CID 901463) has the molecular formula C10H6BrClS2 and a molecular weight of 305.65 g/mol. Its IUPAC name is 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene.

Molecular Properties

Compound Name3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene
PubChem CID901463
Molecular FormulaC10H6BrClS2
Molecular Weight305.65 g/mol
Exact Mass303.88
IUPAC Name3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene
SMILESClc1sccc1/C=C/c1cscc1Br
InChIInChI=1S/C10H6BrClS2/c11-9-6-13-5-8(9)2-1-7-3-4-14-10(7)12/h1-6H/b2-1+
InChIKeyFBDIZLHLEWCBOG-OWOJBTEDSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.65
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene?
The IUPAC name of 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene (CID 901463) is 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene.
What is the SMILES notation for 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene?
The canonical SMILES for 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene is Clc1sccc1/C=C/c1cscc1Br.
What is the InChIKey of 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene?
The InChIKey is FBDIZLHLEWCBOG-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H6BrClS2/c11-9-6-13-5-8(9)2-1-7-3-4-14-10(7)12/h1-6H/b2-1+.
What are the key properties of 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene?
3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene has a molecular weight of 305.65 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(E)-2-(2-chlorothiophen-3-yl)ethenyl]thiophene is sourced from PubChem (CID 901463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).