2-bromo-5-cyclohexylthiophene

C10H13BrS — CID 19881766

IUPAC2-bromo-5-cyclohexylthiophene
SMILESBrc1ccc(C2CCCCC2)s1
InChIInChI=1S/C10H13BrS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyGPJLGNYDQPJERP-UHFFFAOYSA-N
MW245.18 g/mol
LogP4.56
Rot. Bonds1

About 2-bromo-5-cyclohexylthiophene

2-bromo-5-cyclohexylthiophene (PubChem CID 19881766) has the molecular formula C10H13BrS and a molecular weight of 245.18 g/mol. Its IUPAC name is 2-bromo-5-cyclohexylthiophene.

Molecular Properties

Compound Name2-bromo-5-cyclohexylthiophene
PubChem CID19881766
Molecular FormulaC10H13BrS
Molecular Weight245.18 g/mol
Exact Mass243.99
IUPAC Name2-bromo-5-cyclohexylthiophene
SMILESBrc1ccc(C2CCCCC2)s1
InChIInChI=1S/C10H13BrS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyGPJLGNYDQPJERP-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclohexylthiophene?
The IUPAC name of 2-bromo-5-cyclohexylthiophene (CID 19881766) is 2-bromo-5-cyclohexylthiophene.
What is the SMILES notation for 2-bromo-5-cyclohexylthiophene?
The canonical SMILES for 2-bromo-5-cyclohexylthiophene is Brc1ccc(C2CCCCC2)s1.
What is the InChIKey of 2-bromo-5-cyclohexylthiophene?
The InChIKey is GPJLGNYDQPJERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-bromo-5-cyclohexylthiophene?
2-bromo-5-cyclohexylthiophene has a molecular weight of 245.18 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclohexylthiophene is sourced from PubChem (CID 19881766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).