sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane

C3H7NaO3S2 — CID 86585632

IUPACsodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane
SMILESCCCOS(=O)([O-])=S.[Na+]
InChIInChI=1S/C3H8O3S2.Na/c1-2-3-6-8(4,5)7;/h2-3H2,1H3,(H,4,5,7);/q;+1/p-1
InChIKeyGJNRIGCZVXQSHN-UHFFFAOYSA-M
MW178.21 g/mol
LogP-2.79
Rot. Bonds3

About sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane

sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane (PubChem CID 86585632) has the molecular formula C3H7NaO3S2 and a molecular weight of 178.21 g/mol. Its IUPAC name is sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane
PubChem CID86585632
Molecular FormulaC3H7NaO3S2
Molecular Weight178.21 g/mol
Exact Mass177.97
IUPAC Namesodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane
SMILESCCCOS(=O)([O-])=S.[Na+]
InChIInChI=1S/C3H8O3S2.Na/c1-2-3-6-8(4,5)7;/h2-3H2,1H3,(H,4,5,7);/q;+1/p-1
InChIKeyGJNRIGCZVXQSHN-UHFFFAOYSA-M
XLogP-2.79
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-2.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane (CID 86585632) is sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane is CCCOS(=O)([O-])=S.[Na+].
What is the InChIKey of sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane?
The InChIKey is GJNRIGCZVXQSHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3S2.Na/c1-2-3-6-8(4,5)7;/h2-3H2,1H3,(H,4,5,7);/q;+1/p-1.
What are the key properties of sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane?
sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane has a molecular weight of 178.21 g/mol, XLogP of -2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-propoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 86585632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).