1,1-dichloro-6-ethylsulfanylhexane

C8H16Cl2S — CID 54039965

IUPAC1,1-dichloro-6-ethylsulfanylhexane
SMILESCCSCCCCCC(Cl)Cl
InChIInChI=1S/C8H16Cl2S/c1-2-11-7-5-3-4-6-8(9)10/h8H,2-7H2,1H3
InChIKeySIBOIJXINUYFIU-UHFFFAOYSA-N
MW215.19 g/mol
LogP4.10
Rot. Bonds7

About 1,1-dichloro-6-ethylsulfanylhexane

1,1-dichloro-6-ethylsulfanylhexane (PubChem CID 54039965) has the molecular formula C8H16Cl2S and a molecular weight of 215.19 g/mol. Its IUPAC name is 1,1-dichloro-6-ethylsulfanylhexane.

Molecular Properties

Compound Name1,1-dichloro-6-ethylsulfanylhexane
PubChem CID54039965
Molecular FormulaC8H16Cl2S
Molecular Weight215.19 g/mol
Exact Mass214.03
IUPAC Name1,1-dichloro-6-ethylsulfanylhexane
SMILESCCSCCCCCC(Cl)Cl
InChIInChI=1S/C8H16Cl2S/c1-2-11-7-5-3-4-6-8(9)10/h8H,2-7H2,1H3
InChIKeySIBOIJXINUYFIU-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-dichloro-6-ethylsulfanylhexane?
The IUPAC name of 1,1-dichloro-6-ethylsulfanylhexane (CID 54039965) is 1,1-dichloro-6-ethylsulfanylhexane.
What is the SMILES notation for 1,1-dichloro-6-ethylsulfanylhexane?
The canonical SMILES for 1,1-dichloro-6-ethylsulfanylhexane is CCSCCCCCC(Cl)Cl.
What is the InChIKey of 1,1-dichloro-6-ethylsulfanylhexane?
The InChIKey is SIBOIJXINUYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2S/c1-2-11-7-5-3-4-6-8(9)10/h8H,2-7H2,1H3.
What are the key properties of 1,1-dichloro-6-ethylsulfanylhexane?
1,1-dichloro-6-ethylsulfanylhexane has a molecular weight of 215.19 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-6-ethylsulfanylhexane is sourced from PubChem (CID 54039965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).