3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene

C10H7BrS2 — CID 901470

IUPAC3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene
SMILESBrc1cscc1/C=C/c1ccsc1
InChIInChI=1S/C10H7BrS2/c11-10-7-13-6-9(10)2-1-8-3-4-12-5-8/h1-7H/b2-1+
InChIKeyDVJQJDNMMRXGGE-OWOJBTEDSA-N
MW271.20 g/mol
LogP4.74
Rot. Bonds2

About 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene

3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene (PubChem CID 901470) has the molecular formula C10H7BrS2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene.

Molecular Properties

Compound Name3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene
PubChem CID901470
Molecular FormulaC10H7BrS2
Molecular Weight271.20 g/mol
Exact Mass269.92
IUPAC Name3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene
SMILESBrc1cscc1/C=C/c1ccsc1
InChIInChI=1S/C10H7BrS2/c11-10-7-13-6-9(10)2-1-8-3-4-12-5-8/h1-7H/b2-1+
InChIKeyDVJQJDNMMRXGGE-OWOJBTEDSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.74
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-thiophen-3-ylethenyl]thiophene?
The IUPAC name of 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene (CID 901470) is 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene.
What is the SMILES notation for 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene?
The canonical SMILES for 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene is Brc1cscc1/C=C/c1ccsc1.
What is the InChIKey of 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene?
The InChIKey is DVJQJDNMMRXGGE-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H7BrS2/c11-10-7-13-6-9(10)2-1-8-3-4-12-5-8/h1-7H/b2-1+.
What are the key properties of 3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene?
3-bromo-4-[(E)-2-thiophen-3-ylethenyl]thiophene has a molecular weight of 271.20 g/mol, XLogP of 4.74, 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-thiophen-3-ylethenyl]thiophene is sourced from PubChem (CID 901470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).