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

C10H22S9 — CID 20768498

IUPAC[3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol
SMILESSCSCC(CSCC(CSCS)SCS)SCS
InChIInChI=1S/C10H22S9/c11-5-16-3-9(18-7-13)1-15-2-10(19-8-14)4-17-6-12/h9-14H,1-8H2
InChIKeyBGMZLYZDRQYQGM-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.94
Rot. Bonds14

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

[3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol (PubChem CID 20768498) has the molecular formula C10H22S9 and a molecular weight of 430.89 g/mol. Its IUPAC name is [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol.

Molecular Properties

Compound Name[3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol
PubChem CID20768498
Molecular FormulaC10H22S9
Molecular Weight430.89 g/mol
Exact Mass429.92
IUPAC Name[3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol
SMILESSCSCC(CSCC(CSCS)SCS)SCS
InChIInChI=1S/C10H22S9/c11-5-16-3-9(18-7-13)1-15-2-10(19-8-14)4-17-6-12/h9-14H,1-8H2
InChIKeyBGMZLYZDRQYQGM-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
The IUPAC name of [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol (CID 20768498) is [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol.
What is the SMILES notation for [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
The canonical SMILES for [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol is SCSCC(CSCC(CSCS)SCS)SCS.
What is the InChIKey of [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
The InChIKey is BGMZLYZDRQYQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S9/c11-5-16-3-9(18-7-13)1-15-2-10(19-8-14)4-17-6-12/h9-14H,1-8H2.
What are the key properties of [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol?
[3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol has a molecular weight of 430.89 g/mol, XLogP of 4.94, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,3-bis(sulfanylmethylsulfanyl)propylsulfanyl]-2-(sulfanylmethylsulfanyl)propyl]sulfanylmethanethiol is sourced from PubChem (CID 20768498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).