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

C10H6Br2S2 — CID 1211754

IUPAC2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene
SMILESBrc1sccc1/C=C/c1ccsc1Br
InChIInChI=1S/C10H6Br2S2/c11-9-7(3-5-13-9)1-2-8-4-6-14-10(8)12/h1-6H/b2-1+
InChIKeyMITWBCBXKQEHIL-OWOJBTEDSA-N
MW350.10 g/mol
LogP5.51
Rot. Bonds2

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

2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene (PubChem CID 1211754) has the molecular formula C10H6Br2S2 and a molecular weight of 350.10 g/mol. Its IUPAC name is 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene
PubChem CID1211754
Molecular FormulaC10H6Br2S2
Molecular Weight350.10 g/mol
Exact Mass347.83
IUPAC Name2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene
SMILESBrc1sccc1/C=C/c1ccsc1Br
InChIInChI=1S/C10H6Br2S2/c11-9-7(3-5-13-9)1-2-8-4-6-14-10(8)12/h1-6H/b2-1+
InChIKeyMITWBCBXKQEHIL-OWOJBTEDSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.10
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene?
The IUPAC name of 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene (CID 1211754) is 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene.
What is the SMILES notation for 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene?
The canonical SMILES for 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene is Brc1sccc1/C=C/c1ccsc1Br.
What is the InChIKey of 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene?
The InChIKey is MITWBCBXKQEHIL-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H6Br2S2/c11-9-7(3-5-13-9)1-2-8-4-6-14-10(8)12/h1-6H/b2-1+.
What are the key properties of 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene?
2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene has a molecular weight of 350.10 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(E)-2-(2-bromothiophen-3-yl)ethenyl]thiophene is sourced from PubChem (CID 1211754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).