2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile

C12H11Cl2NS — CID 43293027

IUPAC2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NS/c13-9-4-5-10(14)12(6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11H,1-3H2
InChIKeyFCJYVCWFEWFWQF-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.78
Rot. Bonds2

About 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile

2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile (PubChem CID 43293027) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile
PubChem CID43293027
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NS/c13-9-4-5-10(14)12(6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11H,1-3H2
InChIKeyFCJYVCWFEWFWQF-UHFFFAOYSA-N
XLogP4.78
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile (CID 43293027) is 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile is N#CC1CCCC1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile?
The InChIKey is FCJYVCWFEWFWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-9-4-5-10(14)12(6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11H,1-3H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile?
2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile has a molecular weight of 272.20 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 43293027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).