5-(2-chlorophenyl)sulfanylpentanoyl chloride

C11H12Cl2OS — CID 117058638

IUPAC5-(2-chlorophenyl)sulfanylpentanoyl chloride
SMILESO=C(Cl)CCCCSc1ccccc1Cl
InChIInChI=1S/C11H12Cl2OS/c12-9-5-1-2-6-10(9)15-8-4-3-7-11(13)14/h1-2,5-6H,3-4,7-8H2
InChIKeySNPFFIXTAOKYNB-UHFFFAOYSA-N
MW263.19 g/mol
LogP4.37
Rot. Bonds6

About 5-(2-chlorophenyl)sulfanylpentanoyl chloride

5-(2-chlorophenyl)sulfanylpentanoyl chloride (PubChem CID 117058638) has the molecular formula C11H12Cl2OS and a molecular weight of 263.19 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanylpentanoyl chloride.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanylpentanoyl chloride
PubChem CID117058638
Molecular FormulaC11H12Cl2OS
Molecular Weight263.19 g/mol
Exact Mass262.00
IUPAC Name5-(2-chlorophenyl)sulfanylpentanoyl chloride
SMILESO=C(Cl)CCCCSc1ccccc1Cl
InChIInChI=1S/C11H12Cl2OS/c12-9-5-1-2-6-10(9)15-8-4-3-7-11(13)14/h1-2,5-6H,3-4,7-8H2
InChIKeySNPFFIXTAOKYNB-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanylpentanoyl chloride?
The IUPAC name of 5-(2-chlorophenyl)sulfanylpentanoyl chloride (CID 117058638) is 5-(2-chlorophenyl)sulfanylpentanoyl chloride.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanylpentanoyl chloride?
The canonical SMILES for 5-(2-chlorophenyl)sulfanylpentanoyl chloride is O=C(Cl)CCCCSc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)sulfanylpentanoyl chloride?
The InChIKey is SNPFFIXTAOKYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2OS/c12-9-5-1-2-6-10(9)15-8-4-3-7-11(13)14/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 5-(2-chlorophenyl)sulfanylpentanoyl chloride?
5-(2-chlorophenyl)sulfanylpentanoyl chloride has a molecular weight of 263.19 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfanylpentanoyl chloride is sourced from PubChem (CID 117058638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).