1-bromo-4-cyclohexylsulfanylbenzene

C12H15BrS — CID 15728332

IUPAC1-bromo-4-cyclohexylsulfanylbenzene
SMILESBrc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C12H15BrS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyAAERMDIDBKIQRR-UHFFFAOYSA-N
MW271.22 g/mol
LogP4.87
Rot. Bonds2

About 1-bromo-4-cyclohexylsulfanylbenzene

1-bromo-4-cyclohexylsulfanylbenzene (PubChem CID 15728332) has the molecular formula C12H15BrS and a molecular weight of 271.22 g/mol. Its IUPAC name is 1-bromo-4-cyclohexylsulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-cyclohexylsulfanylbenzene
PubChem CID15728332
Molecular FormulaC12H15BrS
Molecular Weight271.22 g/mol
Exact Mass270.01
IUPAC Name1-bromo-4-cyclohexylsulfanylbenzene
SMILESBrc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C12H15BrS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyAAERMDIDBKIQRR-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-Sulfonylbis[4-bromobenzene]
CID 95927
4-Bromophenylthioacetate
CID 34163
Bis(4-bromophenyl) sulphide
CID 76929
1-Bromo-4-(phenylsulfonyl)benzene
CID 89970
Bis(4-bromophenyl) disulfide
CID 219553
4-Bromothioanisole
CID 66037
Allyl 4-bromophenyl sulfide
CID 232026
2-Bromothioanisole
CID 88166
1-Bromo-4-phenylsulfanylbenzene
CID 312025
2-((4-Bromophenyl)thio)ethanol
CID 203586
1-(Benzenesulfinyl)-4-bromobenzene
CID 212855
1,1'-Sulfinylbis(4-bromobenzene)
CID 120565

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclohexylsulfanylbenzene?
The IUPAC name of 1-bromo-4-cyclohexylsulfanylbenzene (CID 15728332) is 1-bromo-4-cyclohexylsulfanylbenzene.
What is the SMILES notation for 1-bromo-4-cyclohexylsulfanylbenzene?
The canonical SMILES for 1-bromo-4-cyclohexylsulfanylbenzene is Brc1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-bromo-4-cyclohexylsulfanylbenzene?
The InChIKey is AAERMDIDBKIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 1-bromo-4-cyclohexylsulfanylbenzene?
1-bromo-4-cyclohexylsulfanylbenzene has a molecular weight of 271.22 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclohexylsulfanylbenzene is sourced from PubChem (CID 15728332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).