1,5-bis(2-chloroethylsulfanyl)pentane

C9H18Cl2S2 — CID 22608774

IUPAC1,5-bis(2-chloroethylsulfanyl)pentane
SMILESClCCSCCCCCSCCCl
InChIInChI=1S/C9H18Cl2S2/c10-4-8-12-6-2-1-3-7-13-9-5-11/h1-9H2
InChIKeyCUJOZMZOOCTTAZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.10
Rot. Bonds10

About 1,5-bis(2-chloroethylsulfanyl)pentane

1,5-bis(2-chloroethylsulfanyl)pentane (PubChem CID 22608774) has the molecular formula C9H18Cl2S2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1,5-bis(2-chloroethylsulfanyl)pentane.

Molecular Properties

Compound Name1,5-bis(2-chloroethylsulfanyl)pentane
PubChem CID22608774
Molecular FormulaC9H18Cl2S2
Molecular Weight261.28 g/mol
Exact Mass260.02
IUPAC Name1,5-bis(2-chloroethylsulfanyl)pentane
SMILESClCCSCCCCCSCCCl
InChIInChI=1S/C9H18Cl2S2/c10-4-8-12-6-2-1-3-7-13-9-5-11/h1-9H2
InChIKeyCUJOZMZOOCTTAZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.10
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 1,5-bis(2-chloroethylsulfanyl)pentane?
The IUPAC name of 1,5-bis(2-chloroethylsulfanyl)pentane (CID 22608774) is 1,5-bis(2-chloroethylsulfanyl)pentane.
What is the SMILES notation for 1,5-bis(2-chloroethylsulfanyl)pentane?
The canonical SMILES for 1,5-bis(2-chloroethylsulfanyl)pentane is ClCCSCCCCCSCCCl.
What is the InChIKey of 1,5-bis(2-chloroethylsulfanyl)pentane?
The InChIKey is CUJOZMZOOCTTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2S2/c10-4-8-12-6-2-1-3-7-13-9-5-11/h1-9H2.
What are the key properties of 1,5-bis(2-chloroethylsulfanyl)pentane?
1,5-bis(2-chloroethylsulfanyl)pentane has a molecular weight of 261.28 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-chloroethylsulfanyl)pentane is sourced from PubChem (CID 22608774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).