1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile

C12H12BrNS — CID 66143835

IUPAC1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile
SMILESN#CC1(Sc2ccccc2Br)CCCC1
InChIInChI=1S/C12H12BrNS/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyXSBCVIMVERKDQG-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.38
Rot. Bonds2

About 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile

1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile (PubChem CID 66143835) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile
PubChem CID66143835
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile
SMILESN#CC1(Sc2ccccc2Br)CCCC1
InChIInChI=1S/C12H12BrNS/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyXSBCVIMVERKDQG-UHFFFAOYSA-N
XLogP4.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile (CID 66143835) is 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile is N#CC1(Sc2ccccc2Br)CCCC1.
What is the InChIKey of 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile?
The InChIKey is XSBCVIMVERKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile?
1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile has a molecular weight of 282.21 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 66143835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).