2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane

C10H18Cl4S2 — CID 21316306

IUPAC2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane
SMILESClCCSCC(Cl)CCC(Cl)CSCCCl
InChIInChI=1S/C10H18Cl4S2/c11-3-5-15-7-9(13)1-2-10(14)8-16-6-4-12/h9-10H,1-8H2
InChIKeyGIHNOGXOHWHRQX-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.93
Rot. Bonds11

About 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane

2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane (PubChem CID 21316306) has the molecular formula C10H18Cl4S2 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane.

Molecular Properties

Compound Name2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane
PubChem CID21316306
Molecular FormulaC10H18Cl4S2
Molecular Weight344.20 g/mol
Exact Mass341.96
IUPAC Name2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane
SMILESClCCSCC(Cl)CCC(Cl)CSCCCl
InChIInChI=1S/C10H18Cl4S2/c11-3-5-15-7-9(13)1-2-10(14)8-16-6-4-12/h9-10H,1-8H2
InChIKeyGIHNOGXOHWHRQX-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane?
The IUPAC name of 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane (CID 21316306) is 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane.
What is the SMILES notation for 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane?
The canonical SMILES for 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane is ClCCSCC(Cl)CCC(Cl)CSCCCl.
What is the InChIKey of 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane?
The InChIKey is GIHNOGXOHWHRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl4S2/c11-3-5-15-7-9(13)1-2-10(14)8-16-6-4-12/h9-10H,1-8H2.
What are the key properties of 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane?
2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane has a molecular weight of 344.20 g/mol, XLogP of 4.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1,6-bis(2-chloroethylsulfanyl)hexane is sourced from PubChem (CID 21316306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).