1-(disulfanyl)octane

C8H18S2 — CID 18332277

IUPAC1-(disulfanyl)octane
SMILESCCCCCCCCSS
InChIInChI=1S/C8H18S2/c1-2-3-4-5-6-7-8-10-9/h9H,2-8H2,1H3
InChIKeyUALDBNYBLUYDHC-UHFFFAOYSA-N
MW178.37 g/mol
LogP3.92
Rot. Bonds7

About 1-(disulfanyl)octane

1-(disulfanyl)octane (PubChem CID 18332277) has the molecular formula C8H18S2 and a molecular weight of 178.37 g/mol. Its IUPAC name is 1-(disulfanyl)octane.

Molecular Properties

Compound Name1-(disulfanyl)octane
PubChem CID18332277
Molecular FormulaC8H18S2
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name1-(disulfanyl)octane
SMILESCCCCCCCCSS
InChIInChI=1S/C8H18S2/c1-2-3-4-5-6-7-8-10-9/h9H,2-8H2,1H3
InChIKeyUALDBNYBLUYDHC-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[6-[6-[3-[6-[3-(disulfanyl)propylsulfanyl]hexylsulfanyl]propylsulfanyl]hexylsulfanyl]hexylsulfanyl]heptane
CID 162484456
1-(trisulfanyl)nonane
CID 173204231
1-hexylsulfanyltetradecane
CID 87077491
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-tetracosylsulfanyloctacosane
CID 87077758
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)octane?
The IUPAC name of 1-(disulfanyl)octane (CID 18332277) is 1-(disulfanyl)octane.
What is the SMILES notation for 1-(disulfanyl)octane?
The canonical SMILES for 1-(disulfanyl)octane is CCCCCCCCSS.
What is the InChIKey of 1-(disulfanyl)octane?
The InChIKey is UALDBNYBLUYDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2/c1-2-3-4-5-6-7-8-10-9/h9H,2-8H2,1H3.
What are the key properties of 1-(disulfanyl)octane?
1-(disulfanyl)octane has a molecular weight of 178.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)octane is sourced from PubChem (CID 18332277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).