1-bromo-4-cyclopentylsulfanylbenzene

C11H13BrS — CID 15728319

IUPAC1-bromo-4-cyclopentylsulfanylbenzene
SMILESBrc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C11H13BrS/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyDYOQTBMQAMOROO-UHFFFAOYSA-N
MW257.20 g/mol
LogP4.48
Rot. Bonds2

About 1-bromo-4-cyclopentylsulfanylbenzene

1-bromo-4-cyclopentylsulfanylbenzene (PubChem CID 15728319) has the molecular formula C11H13BrS and a molecular weight of 257.20 g/mol. Its IUPAC name is 1-bromo-4-cyclopentylsulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-cyclopentylsulfanylbenzene
PubChem CID15728319
Molecular FormulaC11H13BrS
Molecular Weight257.20 g/mol
Exact Mass255.99
IUPAC Name1-bromo-4-cyclopentylsulfanylbenzene
SMILESBrc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C11H13BrS/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyDYOQTBMQAMOROO-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclopentylsulfanylbenzene?
The IUPAC name of 1-bromo-4-cyclopentylsulfanylbenzene (CID 15728319) is 1-bromo-4-cyclopentylsulfanylbenzene.
What is the SMILES notation for 1-bromo-4-cyclopentylsulfanylbenzene?
The canonical SMILES for 1-bromo-4-cyclopentylsulfanylbenzene is Brc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 1-bromo-4-cyclopentylsulfanylbenzene?
The InChIKey is DYOQTBMQAMOROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrS/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of 1-bromo-4-cyclopentylsulfanylbenzene?
1-bromo-4-cyclopentylsulfanylbenzene has a molecular weight of 257.20 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclopentylsulfanylbenzene is sourced from PubChem (CID 15728319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).