sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane

C6H10NNaO2S3 — CID 176894154

IUPACsodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(C1=NCCO1)S([O-])(=S)=S.[Na+]
InChIInChI=1S/C6H11NO2S3.Na/c1-2-5(12(8,10)11)6-7-3-4-9-6;/h5H,2-4H2,1H3,(H,8,10,11);/q;+1/p-1
InChIKeyQGDZSHBTKDOECD-UHFFFAOYSA-M
MW247.34 g/mol
LogP-2.59
Rot. Bonds3

About sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane

sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane (PubChem CID 176894154) has the molecular formula C6H10NNaO2S3 and a molecular weight of 247.34 g/mol. Its IUPAC name is sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Namesodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane
PubChem CID176894154
Molecular FormulaC6H10NNaO2S3
Molecular Weight247.34 g/mol
Exact Mass246.98
IUPAC Namesodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(C1=NCCO1)S([O-])(=S)=S.[Na+]
InChIInChI=1S/C6H11NO2S3.Na/c1-2-5(12(8,10)11)6-7-3-4-9-6;/h5H,2-4H2,1H3,(H,8,10,11);/q;+1/p-1
InChIKeyQGDZSHBTKDOECD-UHFFFAOYSA-M
XLogP-2.59
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-oxido-bis(sulfanylidene)-lambda6-sulfane
CID 176894150
1-(4,5-Dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-lambda6-sulfane
CID 176894151
1-(4,5-Dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-lambda6-sulfane
CID 176894155

Frequently Asked Questions

What is the IUPAC name of sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane (CID 176894154) is sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane is CCC(C1=NCCO1)S([O-])(=S)=S.[Na+].
What is the InChIKey of sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is QGDZSHBTKDOECD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO2S3.Na/c1-2-5(12(8,10)11)6-7-3-4-9-6;/h5H,2-4H2,1H3,(H,8,10,11);/q;+1/p-1.
What are the key properties of sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 247.34 g/mol, XLogP of -2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 176894154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).