1-chloro-4-(cyclohexyldisulfanyl)benzene

C12H15ClS2 — CID 164674408

IUPAC1-chloro-4-(cyclohexyldisulfanyl)benzene
SMILESClc1ccc(SSC2CCCCC2)cc1
InChIInChI=1S/C12H15ClS2/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyQHOSMLVFMKXHCI-UHFFFAOYSA-N
MW258.84 g/mol
LogP5.41
Rot. Bonds3

About 1-chloro-4-(cyclohexyldisulfanyl)benzene

1-chloro-4-(cyclohexyldisulfanyl)benzene (PubChem CID 164674408) has the molecular formula C12H15ClS2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 1-chloro-4-(cyclohexyldisulfanyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(cyclohexyldisulfanyl)benzene
PubChem CID164674408
Molecular FormulaC12H15ClS2
Molecular Weight258.84 g/mol
Exact Mass258.03
IUPAC Name1-chloro-4-(cyclohexyldisulfanyl)benzene
SMILESClc1ccc(SSC2CCCCC2)cc1
InChIInChI=1S/C12H15ClS2/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyQHOSMLVFMKXHCI-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.84
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(cyclohexyldisulfanyl)benzene?
The IUPAC name of 1-chloro-4-(cyclohexyldisulfanyl)benzene (CID 164674408) is 1-chloro-4-(cyclohexyldisulfanyl)benzene.
What is the SMILES notation for 1-chloro-4-(cyclohexyldisulfanyl)benzene?
The canonical SMILES for 1-chloro-4-(cyclohexyldisulfanyl)benzene is Clc1ccc(SSC2CCCCC2)cc1.
What is the InChIKey of 1-chloro-4-(cyclohexyldisulfanyl)benzene?
The InChIKey is QHOSMLVFMKXHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClS2/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 1-chloro-4-(cyclohexyldisulfanyl)benzene?
1-chloro-4-(cyclohexyldisulfanyl)benzene has a molecular weight of 258.84 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(cyclohexyldisulfanyl)benzene is sourced from PubChem (CID 164674408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).