chloro-docosyl-diethyl-λ4-sulfane

C26H55ClS — CID 163231376

IUPACchloro-docosyl-diethyl-λ4-sulfane
SMILESCCCCCCCCCCCCCCCCCCCCCCS(Cl)(CC)CC
InChIInChI=1S/C26H55ClS/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(27,5-2)6-3/h4-26H2,1-3H3
InChIKeyKFCBHMXTIKPHLX-UHFFFAOYSA-N
MW435.25 g/mol
LogP10.81
Rot. Bonds23

About chloro-docosyl-diethyl-λ4-sulfane

chloro-docosyl-diethyl-λ4-sulfane (PubChem CID 163231376) has the molecular formula C26H55ClS and a molecular weight of 435.25 g/mol. Its IUPAC name is chloro-docosyl-diethyl-λ4-sulfane.

Molecular Properties

Compound Namechloro-docosyl-diethyl-λ4-sulfane
PubChem CID163231376
Molecular FormulaC26H55ClS
Molecular Weight435.25 g/mol
Exact Mass434.37
IUPAC Namechloro-docosyl-diethyl-λ4-sulfane
SMILESCCCCCCCCCCCCCCCCCCCCCCS(Cl)(CC)CC
InChIInChI=1S/C26H55ClS/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(27,5-2)6-3/h4-26H2,1-3H3
InChIKeyKFCBHMXTIKPHLX-UHFFFAOYSA-N
XLogP10.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.25
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptane-1-sulfonyl chloride
CID 10878141
trichloro(octyl)-λ4-sulfane
CID 129156705
dichloro-hexyl-methyl-λ4-sulfane
CID 142899698
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
trihexyl(methyl)-λ4-sulfane
CID 138739733
1-methylsulfonylnonane
CID 19089493
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
1-(chloromethylsulfonyl)octane
CID 4612846
lithium;dodecane;hydride
CID 173115706
trilithium;hydride;icosane
CID 173415382

Frequently Asked Questions

What is the IUPAC name of chloro-docosyl-diethyl-λ4-sulfane?
The IUPAC name of chloro-docosyl-diethyl-λ4-sulfane (CID 163231376) is chloro-docosyl-diethyl-λ4-sulfane.
What is the SMILES notation for chloro-docosyl-diethyl-λ4-sulfane?
The canonical SMILES for chloro-docosyl-diethyl-λ4-sulfane is CCCCCCCCCCCCCCCCCCCCCCS(Cl)(CC)CC.
What is the InChIKey of chloro-docosyl-diethyl-λ4-sulfane?
The InChIKey is KFCBHMXTIKPHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55ClS/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(27,5-2)6-3/h4-26H2,1-3H3.
What are the key properties of chloro-docosyl-diethyl-λ4-sulfane?
chloro-docosyl-diethyl-λ4-sulfane has a molecular weight of 435.25 g/mol, XLogP of 10.81, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-docosyl-diethyl-λ4-sulfane is sourced from PubChem (CID 163231376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).