1-chloro-1-pentylsulfonylsulfanylpentane

C10H21ClO2S2 — CID 13272718

IUPAC1-chloro-1-pentylsulfonylsulfanylpentane
SMILESCCCCCS(=O)(=O)SC(Cl)CCCC
InChIInChI=1S/C10H21ClO2S2/c1-3-5-7-9-15(12,13)14-10(11)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyQYYVPICEVRMDMY-UHFFFAOYSA-N
MW272.86 g/mol
LogP3.99
Rot. Bonds9

About 1-chloro-1-pentylsulfonylsulfanylpentane

1-chloro-1-pentylsulfonylsulfanylpentane (PubChem CID 13272718) has the molecular formula C10H21ClO2S2 and a molecular weight of 272.86 g/mol. Its IUPAC name is 1-chloro-1-pentylsulfonylsulfanylpentane.

Molecular Properties

Compound Name1-chloro-1-pentylsulfonylsulfanylpentane
PubChem CID13272718
Molecular FormulaC10H21ClO2S2
Molecular Weight272.86 g/mol
Exact Mass272.07
IUPAC Name1-chloro-1-pentylsulfonylsulfanylpentane
SMILESCCCCCS(=O)(=O)SC(Cl)CCCC
InChIInChI=1S/C10H21ClO2S2/c1-3-5-7-9-15(12,13)14-10(11)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyQYYVPICEVRMDMY-UHFFFAOYSA-N
XLogP3.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-pentylsulfonylsulfanylpentane?
The IUPAC name of 1-chloro-1-pentylsulfonylsulfanylpentane (CID 13272718) is 1-chloro-1-pentylsulfonylsulfanylpentane.
What is the SMILES notation for 1-chloro-1-pentylsulfonylsulfanylpentane?
The canonical SMILES for 1-chloro-1-pentylsulfonylsulfanylpentane is CCCCCS(=O)(=O)SC(Cl)CCCC.
What is the InChIKey of 1-chloro-1-pentylsulfonylsulfanylpentane?
The InChIKey is QYYVPICEVRMDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO2S2/c1-3-5-7-9-15(12,13)14-10(11)8-6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-chloro-1-pentylsulfonylsulfanylpentane?
1-chloro-1-pentylsulfonylsulfanylpentane has a molecular weight of 272.86 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-pentylsulfonylsulfanylpentane is sourced from PubChem (CID 13272718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).