[dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium

C2H9S3+ — CID 91184170

IUPAC[dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium
SMILESCS(C)(S)[SH2+]
InChIInChI=1S/C2H8S3/c1-5(2,3)4/h3-4H,1-2H3/p+1
InChIKeyGYBRUTPDYAPMFH-UHFFFAOYSA-O
MW129.29 g/mol
LogP0.82
Rot. Bonds

About [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium

[dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium (PubChem CID 91184170) has the molecular formula C2H9S3+ and a molecular weight of 129.29 g/mol. Its IUPAC name is [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium.

Molecular Properties

Compound Name[dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium
PubChem CID91184170
Molecular FormulaC2H9S3+
Molecular Weight129.29 g/mol
Exact Mass128.99
IUPAC Name[dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium
SMILESCS(C)(S)[SH2+]
InChIInChI=1S/C2H8S3/c1-5(2,3)4/h3-4H,1-2H3/p+1
InChIKeyGYBRUTPDYAPMFH-UHFFFAOYSA-O
XLogP0.82
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium?
The IUPAC name of [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium (CID 91184170) is [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium.
What is the SMILES notation for [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium?
The canonical SMILES for [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium is CS(C)(S)[SH2+].
What is the InChIKey of [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium?
The InChIKey is GYBRUTPDYAPMFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H8S3/c1-5(2,3)4/h3-4H,1-2H3/p+1.
What are the key properties of [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium?
[dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium has a molecular weight of 129.29 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(sulfanyl)-λ4-sulfanyl]sulfanium is sourced from PubChem (CID 91184170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).