2-bromo-5-[(E)-but-1-enyl]thiophene

C8H9BrS — CID 58787087

IUPAC2-bromo-5-[(E)-but-1-enyl]thiophene
SMILESCC/C=C/c1ccc(Br)s1
InChIInChI=1S/C8H9BrS/c1-2-3-4-7-5-6-8(9)10-7/h3-6H,2H2,1H3/b4-3+
InChIKeySJKDOJJHDUAXPB-ONEGZZNKSA-N
MW217.13 g/mol
LogP3.93
Rot. Bonds2

About 2-bromo-5-[(E)-but-1-enyl]thiophene

2-bromo-5-[(E)-but-1-enyl]thiophene (PubChem CID 58787087) has the molecular formula C8H9BrS and a molecular weight of 217.13 g/mol. Its IUPAC name is 2-bromo-5-[(E)-but-1-enyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(E)-but-1-enyl]thiophene
PubChem CID58787087
Molecular FormulaC8H9BrS
Molecular Weight217.13 g/mol
Exact Mass215.96
IUPAC Name2-bromo-5-[(E)-but-1-enyl]thiophene
SMILESCC/C=C/c1ccc(Br)s1
InChIInChI=1S/C8H9BrS/c1-2-3-4-7-5-6-8(9)10-7/h3-6H,2H2,1H3/b4-3+
InChIKeySJKDOJJHDUAXPB-ONEGZZNKSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(E)-but-1-enyl]thiophene?
The IUPAC name of 2-bromo-5-[(E)-but-1-enyl]thiophene (CID 58787087) is 2-bromo-5-[(E)-but-1-enyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(E)-but-1-enyl]thiophene?
The canonical SMILES for 2-bromo-5-[(E)-but-1-enyl]thiophene is CC/C=C/c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(E)-but-1-enyl]thiophene?
The InChIKey is SJKDOJJHDUAXPB-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9BrS/c1-2-3-4-7-5-6-8(9)10-7/h3-6H,2H2,1H3/b4-3+.
What are the key properties of 2-bromo-5-[(E)-but-1-enyl]thiophene?
2-bromo-5-[(E)-but-1-enyl]thiophene has a molecular weight of 217.13 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(E)-but-1-enyl]thiophene is sourced from PubChem (CID 58787087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).