1-chloro-4-(5-chloropentylsulfanyl)benzene

C11H14Cl2S — CID 43348477

IUPAC1-chloro-4-(5-chloropentylsulfanyl)benzene
SMILESClCCCCCSc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2S/c12-8-2-1-3-9-14-11-6-4-10(13)5-7-11/h4-7H,1-3,8-9H2
InChIKeyWGMUQNOTXMTBQG-UHFFFAOYSA-N
MW249.21 g/mol
LogP4.84
Rot. Bonds6

About 1-chloro-4-(5-chloropentylsulfanyl)benzene

1-chloro-4-(5-chloropentylsulfanyl)benzene (PubChem CID 43348477) has the molecular formula C11H14Cl2S and a molecular weight of 249.21 g/mol. Its IUPAC name is 1-chloro-4-(5-chloropentylsulfanyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(5-chloropentylsulfanyl)benzene
PubChem CID43348477
Molecular FormulaC11H14Cl2S
Molecular Weight249.21 g/mol
Exact Mass248.02
IUPAC Name1-chloro-4-(5-chloropentylsulfanyl)benzene
SMILESClCCCCCSc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2S/c12-8-2-1-3-9-14-11-6-4-10(13)5-7-11/h4-7H,1-3,8-9H2
InChIKeyWGMUQNOTXMTBQG-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
1-(6-chlorohexylsulfanyl)-4-methylbenzene
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3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
CID 13018772
4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689
2-(4-chlorobutylsulfanyl)naphthalene
CID 63501641
1-chloro-4-[(E)-oct-6-enyl]sulfanylbenzene
CID 70956853
methyl 7-(4-chlorophenyl)sulfanylheptanoate
CID 10334222
4-[3-(4-chlorophenoxy)propylsulfanyl]phenol
CID 54910973
1-chloro-4-[3-(4-ethoxyphenoxy)propylsulfanyl]benzene
CID 2283089
4-(4-chlorophenyl)sulfanylbutanoate
CID 2307143
11-(4-chlorophenyl)sulfanylundecyl prop-2-enoate
CID 169195857
1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazine
CID 2299558

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(5-chloropentylsulfanyl)benzene?
The IUPAC name of 1-chloro-4-(5-chloropentylsulfanyl)benzene (CID 43348477) is 1-chloro-4-(5-chloropentylsulfanyl)benzene.
What is the SMILES notation for 1-chloro-4-(5-chloropentylsulfanyl)benzene?
The canonical SMILES for 1-chloro-4-(5-chloropentylsulfanyl)benzene is ClCCCCCSc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(5-chloropentylsulfanyl)benzene?
The InChIKey is WGMUQNOTXMTBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2S/c12-8-2-1-3-9-14-11-6-4-10(13)5-7-11/h4-7H,1-3,8-9H2.
What are the key properties of 1-chloro-4-(5-chloropentylsulfanyl)benzene?
1-chloro-4-(5-chloropentylsulfanyl)benzene has a molecular weight of 249.21 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(5-chloropentylsulfanyl)benzene is sourced from PubChem (CID 43348477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).