1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane

C10H20Cl2S4 — CID 11089082

IUPAC1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane
SMILESClCCSCCSCCSCCSCCCl
InChIInChI=1S/C10H20Cl2S4/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h1-10H2
InChIKeyVDDUIWFFQHAVEB-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.40
Rot. Bonds13

About 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane

1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane (PubChem CID 11089082) has the molecular formula C10H20Cl2S4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane.

Molecular Properties

Compound Name1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane
PubChem CID11089082
Molecular FormulaC10H20Cl2S4
Molecular Weight339.44 g/mol
Exact Mass337.98
IUPAC Name1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane
SMILESClCCSCCSCCSCCSCCCl
InChIInChI=1S/C10H20Cl2S4/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h1-10H2
InChIKeyVDDUIWFFQHAVEB-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
The IUPAC name of 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane (CID 11089082) is 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane.
What is the SMILES notation for 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
The canonical SMILES for 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane is ClCCSCCSCCSCCSCCCl.
What is the InChIKey of 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
The InChIKey is VDDUIWFFQHAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2S4/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h1-10H2.
What are the key properties of 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane?
1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane has a molecular weight of 339.44 g/mol, XLogP of 4.40, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(2-chloroethylsulfanyl)ethylsulfanyl]ethane is sourced from PubChem (CID 11089082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).