[3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol

C10H22S10 — CID 20768497

IUPAC[3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol
SMILESSCSCC(CSSCC(CSCS)SCS)SCS
InChIInChI=1S/C10H22S10/c11-5-15-1-9(17-7-13)3-19-20-4-10(18-8-14)2-16-6-12/h9-14H,1-8H2
InChIKeyVUFQGNHZTNJMNQ-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.59
Rot. Bonds15

About [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol

[3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol (PubChem CID 20768497) has the molecular formula C10H22S10 and a molecular weight of 462.96 g/mol. Its IUPAC name is [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol.

Molecular Properties

Compound Name[3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol
PubChem CID20768497
Molecular FormulaC10H22S10
Molecular Weight462.96 g/mol
Exact Mass461.89
IUPAC Name[3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol
SMILESSCSCC(CSSCC(CSCS)SCS)SCS
InChIInChI=1S/C10H22S10/c11-5-15-1-9(17-7-13)3-19-20-4-10(18-8-14)2-16-6-12/h9-14H,1-8H2
InChIKeyVUFQGNHZTNJMNQ-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
The IUPAC name of [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol (CID 20768497) is [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol.
What is the SMILES notation for [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
The canonical SMILES for [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol is SCSCC(CSSCC(CSCS)SCS)SCS.
What is the InChIKey of [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
The InChIKey is VUFQGNHZTNJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S10/c11-5-15-1-9(17-7-13)3-19-20-4-10(18-8-14)2-16-6-12/h9-14H,1-8H2.
What are the key properties of [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
[3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol has a molecular weight of 462.96 g/mol, XLogP of 5.59, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,3-bis(sulfanylmethylsulfanyl)propyldisulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol is sourced from PubChem (CID 20768497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).