1-(tetrasulfanyl)nonane

C9H20S4 — CID 91506220

IUPAC1-(tetrasulfanyl)nonane
SMILESCCCCCCCCCSSSS
InChIInChI=1S/C9H20S4/c1-2-3-4-5-6-7-8-9-11-13-12-10/h10H,2-9H2,1H3
InChIKeyXDZYOSIFENZPIS-UHFFFAOYSA-N
MW256.53 g/mol
LogP5.61
Rot. Bonds10

About 1-(tetrasulfanyl)nonane

1-(tetrasulfanyl)nonane (PubChem CID 91506220) has the molecular formula C9H20S4 and a molecular weight of 256.53 g/mol. Its IUPAC name is 1-(tetrasulfanyl)nonane.

Molecular Properties

Compound Name1-(tetrasulfanyl)nonane
PubChem CID91506220
Molecular FormulaC9H20S4
Molecular Weight256.53 g/mol
Exact Mass256.04
IUPAC Name1-(tetrasulfanyl)nonane
SMILESCCCCCCCCCSSSS
InChIInChI=1S/C9H20S4/c1-2-3-4-5-6-7-8-9-11-13-12-10/h10H,2-9H2,1H3
InChIKeyXDZYOSIFENZPIS-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(trisulfanyl)nonane
CID 173204231
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-(octadecylhexasulfanyl)octadecane
CID 54412885
1-(dodecylhexasulfanyl)dodecane
CID 139607418
1-(butyltrisulfanyl)octane
CID 141156696
1-(disulfanyl)octane
CID 18332277
1-(hydroxydisulfanyl)hexadecane
CID 87645981
1-butylsulfanyl-13-[2-[2-[9-(decyltrisulfanyl)nonyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]tridecane
CID 162484425
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436

Frequently Asked Questions

What is the IUPAC name of 1-(tetrasulfanyl)nonane?
The IUPAC name of 1-(tetrasulfanyl)nonane (CID 91506220) is 1-(tetrasulfanyl)nonane.
What is the SMILES notation for 1-(tetrasulfanyl)nonane?
The canonical SMILES for 1-(tetrasulfanyl)nonane is CCCCCCCCCSSSS.
What is the InChIKey of 1-(tetrasulfanyl)nonane?
The InChIKey is XDZYOSIFENZPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S4/c1-2-3-4-5-6-7-8-9-11-13-12-10/h10H,2-9H2,1H3.
What are the key properties of 1-(tetrasulfanyl)nonane?
1-(tetrasulfanyl)nonane has a molecular weight of 256.53 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrasulfanyl)nonane is sourced from PubChem (CID 91506220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).