1-(trisulfanyl)nonane

C9H20S3 — CID 173204231

IUPAC1-(trisulfanyl)nonane
SMILESCCCCCCCCCSSS
InChIInChI=1S/C9H20S3/c1-2-3-4-5-6-7-8-9-11-12-10/h10H,2-9H2,1H3
InChIKeyFDDJEPHXMBMRKC-UHFFFAOYSA-N
MW224.46 g/mol
LogP4.96
Rot. Bonds9

About 1-(trisulfanyl)nonane

1-(trisulfanyl)nonane (PubChem CID 173204231) has the molecular formula C9H20S3 and a molecular weight of 224.46 g/mol. Its IUPAC name is 1-(trisulfanyl)nonane.

Molecular Properties

Compound Name1-(trisulfanyl)nonane
PubChem CID173204231
Molecular FormulaC9H20S3
Molecular Weight224.46 g/mol
Exact Mass224.07
IUPAC Name1-(trisulfanyl)nonane
SMILESCCCCCCCCCSSS
InChIInChI=1S/C9H20S3/c1-2-3-4-5-6-7-8-9-11-12-10/h10H,2-9H2,1H3
InChIKeyFDDJEPHXMBMRKC-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(tetrasulfanyl)nonane
CID 91506220
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-(disulfanyl)octane
CID 18332277
1-(octadecylhexasulfanyl)octadecane
CID 54412885
1-(dodecylhexasulfanyl)dodecane
CID 139607418
1-(butyltrisulfanyl)octane
CID 141156696
1-(hydroxydisulfanyl)hexadecane
CID 87645981
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
1-hexylsulfanyloctane
CID 15742910
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436

Frequently Asked Questions

What is the IUPAC name of 1-(trisulfanyl)nonane?
The IUPAC name of 1-(trisulfanyl)nonane (CID 173204231) is 1-(trisulfanyl)nonane.
What is the SMILES notation for 1-(trisulfanyl)nonane?
The canonical SMILES for 1-(trisulfanyl)nonane is CCCCCCCCCSSS.
What is the InChIKey of 1-(trisulfanyl)nonane?
The InChIKey is FDDJEPHXMBMRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S3/c1-2-3-4-5-6-7-8-9-11-12-10/h10H,2-9H2,1H3.
What are the key properties of 1-(trisulfanyl)nonane?
1-(trisulfanyl)nonane has a molecular weight of 224.46 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trisulfanyl)nonane is sourced from PubChem (CID 173204231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).