3-bromo-4-(cyclohexen-1-yl)thiophene

C10H11BrS — CID 13122716

IUPAC3-bromo-4-(cyclohexen-1-yl)thiophene
SMILESBrc1cscc1C1=CCCCC1
InChIInChI=1S/C10H11BrS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2
InChIKeyALUFNLYYHXFGHN-UHFFFAOYSA-N
MW243.17 g/mol
LogP4.47
Rot. Bonds1

About 3-bromo-4-(cyclohexen-1-yl)thiophene

3-bromo-4-(cyclohexen-1-yl)thiophene (PubChem CID 13122716) has the molecular formula C10H11BrS and a molecular weight of 243.17 g/mol. Its IUPAC name is 3-bromo-4-(cyclohexen-1-yl)thiophene.

Molecular Properties

Compound Name3-bromo-4-(cyclohexen-1-yl)thiophene
PubChem CID13122716
Molecular FormulaC10H11BrS
Molecular Weight243.17 g/mol
Exact Mass241.98
IUPAC Name3-bromo-4-(cyclohexen-1-yl)thiophene
SMILESBrc1cscc1C1=CCCCC1
InChIInChI=1S/C10H11BrS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2
InChIKeyALUFNLYYHXFGHN-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(cyclohexen-1-yl)thiophene?
The IUPAC name of 3-bromo-4-(cyclohexen-1-yl)thiophene (CID 13122716) is 3-bromo-4-(cyclohexen-1-yl)thiophene.
What is the SMILES notation for 3-bromo-4-(cyclohexen-1-yl)thiophene?
The canonical SMILES for 3-bromo-4-(cyclohexen-1-yl)thiophene is Brc1cscc1C1=CCCCC1.
What is the InChIKey of 3-bromo-4-(cyclohexen-1-yl)thiophene?
The InChIKey is ALUFNLYYHXFGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h4,6-7H,1-3,5H2.
What are the key properties of 3-bromo-4-(cyclohexen-1-yl)thiophene?
3-bromo-4-(cyclohexen-1-yl)thiophene has a molecular weight of 243.17 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(cyclohexen-1-yl)thiophene is sourced from PubChem (CID 13122716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).