2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate

C6H14O3S5 — CID 137350235

IUPAC2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate
SMILESO=S(=O)(CC(S)CS)OCC(S)CS
InChIInChI=1S/C6H14O3S5/c7-14(8,4-6(13)3-11)9-1-5(12)2-10/h5-6,10-13H,1-4H2
InChIKeyAMWWJFHMJCCZJZ-UHFFFAOYSA-N
MW294.51 g/mol
LogP0.79
Rot. Bonds7

About 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate

2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate (PubChem CID 137350235) has the molecular formula C6H14O3S5 and a molecular weight of 294.51 g/mol. Its IUPAC name is 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate.

Molecular Properties

Compound Name2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate
PubChem CID137350235
Molecular FormulaC6H14O3S5
Molecular Weight294.51 g/mol
Exact Mass293.95
IUPAC Name2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate
SMILESO=S(=O)(CC(S)CS)OCC(S)CS
InChIInChI=1S/C6H14O3S5/c7-14(8,4-6(13)3-11)9-1-5(12)2-10/h5-6,10-13H,1-4H2
InChIKeyAMWWJFHMJCCZJZ-UHFFFAOYSA-N
XLogP0.79
TPSA43.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate?
The IUPAC name of 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate (CID 137350235) is 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate.
What is the SMILES notation for 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate?
The canonical SMILES for 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate is O=S(=O)(CC(S)CS)OCC(S)CS.
What is the InChIKey of 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate?
The InChIKey is AMWWJFHMJCCZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S5/c7-14(8,4-6(13)3-11)9-1-5(12)2-10/h5-6,10-13H,1-4H2.
What are the key properties of 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate?
2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate has a molecular weight of 294.51 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(sulfanyl)propyl 2,3-bis(sulfanyl)propane-1-sulfonate is sourced from PubChem (CID 137350235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).