1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene

C15H14Cl2S2 — CID 12836424

IUPAC1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
SMILESClc1ccc(SCCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14Cl2S2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11H2
InChIKeyQLHUFWNCTJWGTC-UHFFFAOYSA-N
MW329.32 g/mol
LogP6.27
Rot. Bonds6

About 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene

1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene (PubChem CID 12836424) has the molecular formula C15H14Cl2S2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
PubChem CID12836424
Molecular FormulaC15H14Cl2S2
Molecular Weight329.32 g/mol
Exact Mass327.99
IUPAC Name1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
SMILESClc1ccc(SCCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14Cl2S2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11H2
InChIKeyQLHUFWNCTJWGTC-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
CID 13018772
1-chloro-4-(5-chloropentylsulfanyl)benzene
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4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689
4-(4-chlorophenyl)sulfanylbutanoate
CID 2307143
N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
CID 2299864
1-chloro-4-[3-(4-ethoxyphenoxy)propylsulfanyl]benzene
CID 2283089
4-[3-(4-chlorophenoxy)propylsulfanyl]phenol
CID 54910973
1-chloro-4-[(E)-oct-6-enyl]sulfanylbenzene
CID 70956853
1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64813219
1-chloro-4-ethylsulfanylbenzene
CID 5324154
4-(4-chlorophenyl)sulfanyl-1-phenylbutan-1-one
CID 43413037
1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazine
CID 2299558

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene?
The IUPAC name of 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene (CID 12836424) is 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene.
What is the SMILES notation for 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene?
The canonical SMILES for 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene is Clc1ccc(SCCCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene?
The InChIKey is QLHUFWNCTJWGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2S2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11H2.
What are the key properties of 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene?
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene has a molecular weight of 329.32 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene is sourced from PubChem (CID 12836424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).