1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane

C8H16Cl2OS2 — CID 23621601

IUPAC1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane
SMILESCC(Cl)SCCOCCSC(C)Cl
InChIInChI=1S/C8H16Cl2OS2/c1-7(9)12-5-3-11-4-6-13-8(2)10/h7-8H,3-6H2,1-2H3
InChIKeyAKRBYSMGWGQENR-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.64
Rot. Bonds8

About 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane

1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane (PubChem CID 23621601) has the molecular formula C8H16Cl2OS2 and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane.

Molecular Properties

Compound Name1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane
PubChem CID23621601
Molecular FormulaC8H16Cl2OS2
Molecular Weight263.25 g/mol
Exact Mass262.00
IUPAC Name1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane
SMILESCC(Cl)SCCOCCSC(C)Cl
InChIInChI=1S/C8H16Cl2OS2/c1-7(9)12-5-3-11-4-6-13-8(2)10/h7-8H,3-6H2,1-2H3
InChIKeyAKRBYSMGWGQENR-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane?
The IUPAC name of 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane (CID 23621601) is 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane.
What is the SMILES notation for 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane?
The canonical SMILES for 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane is CC(Cl)SCCOCCSC(C)Cl.
What is the InChIKey of 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane?
The InChIKey is AKRBYSMGWGQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2OS2/c1-7(9)12-5-3-11-4-6-13-8(2)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane?
1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane has a molecular weight of 263.25 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[2-[2-(1-chloroethylsulfanyl)ethoxy]ethylsulfanyl]ethane is sourced from PubChem (CID 23621601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).