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

C10H20Cl2OS3 — CID 528223

IUPAC1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane
SMILESClCCSCCOCCSCCSCCCl
InChIInChI=1S/C10H20Cl2OS3/c11-1-5-14-7-3-13-4-8-16-10-9-15-6-2-12/h1-10H2
InChIKeyCSWFFQYKMQIBDP-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.68
Rot. Bonds13

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

1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane (PubChem CID 528223) has the molecular formula C10H20Cl2OS3 and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane.

Molecular Properties

Compound Name1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane
PubChem CID528223
Molecular FormulaC10H20Cl2OS3
Molecular Weight323.38 g/mol
Exact Mass322.01
IUPAC Name1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane
SMILESClCCSCCOCCSCCSCCCl
InChIInChI=1S/C10H20Cl2OS3/c11-1-5-14-7-3-13-4-8-16-10-9-15-6-2-12/h1-10H2
InChIKeyCSWFFQYKMQIBDP-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
The IUPAC name of 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane (CID 528223) is 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane.
What is the SMILES notation for 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
The canonical SMILES for 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane is ClCCSCCOCCSCCSCCCl.
What is the InChIKey of 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
The InChIKey is CSWFFQYKMQIBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2OS3/c11-1-5-14-7-3-13-4-8-16-10-9-15-6-2-12/h1-10H2.
What are the key properties of 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane has a molecular weight of 323.38 g/mol, XLogP of 3.68, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethylsulfanyl)ethoxy]-2-[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane is sourced from PubChem (CID 528223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).