4-sulfaniumylbutylsulfanium

C4H12S2+2 — CID 151871431

IUPAC4-sulfaniumylbutylsulfanium
SMILES[SH2+]CCCC[SH2+]
InChIInChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2/p+2
InChIKeySMTOKHQOVJRXLK-UHFFFAOYSA-P
MW124.27 g/mol
LogP-0.21
Rot. Bonds3

About 4-sulfaniumylbutylsulfanium

4-sulfaniumylbutylsulfanium (PubChem CID 151871431) has the molecular formula C4H12S2+2 and a molecular weight of 124.27 g/mol. Its IUPAC name is 4-sulfaniumylbutylsulfanium.

Molecular Properties

Compound Name4-sulfaniumylbutylsulfanium
PubChem CID151871431
Molecular FormulaC4H12S2+2
Molecular Weight124.27 g/mol
Exact Mass124.04
IUPAC Name4-sulfaniumylbutylsulfanium
SMILES[SH2+]CCCC[SH2+]
InChIInChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2/p+2
InChIKeySMTOKHQOVJRXLK-UHFFFAOYSA-P
XLogP-0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-sulfaniumylbutylsulfanium?
The IUPAC name of 4-sulfaniumylbutylsulfanium (CID 151871431) is 4-sulfaniumylbutylsulfanium.
What is the SMILES notation for 4-sulfaniumylbutylsulfanium?
The canonical SMILES for 4-sulfaniumylbutylsulfanium is [SH2+]CCCC[SH2+].
What is the InChIKey of 4-sulfaniumylbutylsulfanium?
The InChIKey is SMTOKHQOVJRXLK-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2/p+2.
What are the key properties of 4-sulfaniumylbutylsulfanium?
4-sulfaniumylbutylsulfanium has a molecular weight of 124.27 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfaniumylbutylsulfanium is sourced from PubChem (CID 151871431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).