sodium 3-sulfidosulfonylprop-1-ene

C3H5NaO2S2 — CID 18740383

IUPACsodium 3-sulfidosulfonylprop-1-ene
SMILESC=CCS(=O)(=O)[S-].[Na+]
InChIInChI=1S/C3H6O2S2.Na/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);/q;+1/p-1
InChIKeyLHISNWMQHXWSOH-UHFFFAOYSA-M
MW160.19 g/mol
LogP-2.95
Rot. Bonds2

About sodium 3-sulfidosulfonylprop-1-ene

sodium 3-sulfidosulfonylprop-1-ene (PubChem CID 18740383) has the molecular formula C3H5NaO2S2 and a molecular weight of 160.19 g/mol. Its IUPAC name is sodium 3-sulfidosulfonylprop-1-ene.

Molecular Properties

Compound Namesodium 3-sulfidosulfonylprop-1-ene
PubChem CID18740383
Molecular FormulaC3H5NaO2S2
Molecular Weight160.19 g/mol
Exact Mass159.96
IUPAC Namesodium 3-sulfidosulfonylprop-1-ene
SMILESC=CCS(=O)(=O)[S-].[Na+]
InChIInChI=1S/C3H6O2S2.Na/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);/q;+1/p-1
InChIKeyLHISNWMQHXWSOH-UHFFFAOYSA-M
XLogP-2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-2.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 3-sulfidosulfonylprop-1-ene?
The IUPAC name of sodium 3-sulfidosulfonylprop-1-ene (CID 18740383) is sodium 3-sulfidosulfonylprop-1-ene.
What is the SMILES notation for sodium 3-sulfidosulfonylprop-1-ene?
The canonical SMILES for sodium 3-sulfidosulfonylprop-1-ene is C=CCS(=O)(=O)[S-].[Na+].
What is the InChIKey of sodium 3-sulfidosulfonylprop-1-ene?
The InChIKey is LHISNWMQHXWSOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2S2.Na/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);/q;+1/p-1.
What are the key properties of sodium 3-sulfidosulfonylprop-1-ene?
sodium 3-sulfidosulfonylprop-1-ene has a molecular weight of 160.19 g/mol, XLogP of -2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-sulfidosulfonylprop-1-ene is sourced from PubChem (CID 18740383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).