1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane

C12H25ClO2S — CID 126668249

IUPAC1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane
SMILESCSCCCOCCOCCCCCCCl
InChIInChI=1S/C12H25ClO2S/c1-16-12-6-9-15-11-10-14-8-5-3-2-4-7-13/h2-12H2,1H3
InChIKeyUGZIQYJFCTXWRX-UHFFFAOYSA-N
MW268.85 g/mol
LogP3.57
Rot. Bonds13

About 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane

1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane (PubChem CID 126668249) has the molecular formula C12H25ClO2S and a molecular weight of 268.85 g/mol. Its IUPAC name is 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane.

Molecular Properties

Compound Name1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane
PubChem CID126668249
Molecular FormulaC12H25ClO2S
Molecular Weight268.85 g/mol
Exact Mass268.13
IUPAC Name1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane
SMILESCSCCCOCCOCCCCCCCl
InChIInChI=1S/C12H25ClO2S/c1-16-12-6-9-15-11-10-14-8-5-3-2-4-7-13/h2-12H2,1H3
InChIKeyUGZIQYJFCTXWRX-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.85
LogP ≤ 53.57
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'}

Analyze 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-methylsulfanylpropane
CID 12690295
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
1-(5-chloropentoxy)octane
CID 43348463
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324
1-chloro-14-ethoxytetradecane
CID 173330502
1-(2-methylsulfanylethoxy)hexane
CID 104863791
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 155982389
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
CID 23516617
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
CID 164593219
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane?
The IUPAC name of 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane (CID 126668249) is 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane.
What is the SMILES notation for 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane?
The canonical SMILES for 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane is CSCCCOCCOCCCCCCCl.
What is the InChIKey of 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane?
The InChIKey is UGZIQYJFCTXWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO2S/c1-16-12-6-9-15-11-10-14-8-5-3-2-4-7-13/h2-12H2,1H3.
What are the key properties of 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane?
1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane has a molecular weight of 268.85 g/mol, XLogP of 3.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane is sourced from PubChem (CID 126668249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).