sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane

C3H5NaO3S2 — CID 175640044

IUPACsodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
SMILESC/C=C\OS(=O)([O-])=S.[Na+]
InChIInChI=1S/C3H6O3S2.Na/c1-2-3-6-8(4,5)7;/h2-3H,1H3,(H,4,5,7);/q;+1/p-1/b3-2-;
InChIKeyLAEVZQUCTQQLPN-OLGQORCHSA-M
MW176.19 g/mol
LogP-2.67
Rot. Bonds2

About sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane

sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane (PubChem CID 175640044) has the molecular formula C3H5NaO3S2 and a molecular weight of 176.19 g/mol. Its IUPAC name is sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
PubChem CID175640044
Molecular FormulaC3H5NaO3S2
Molecular Weight176.19 g/mol
Exact Mass175.96
IUPAC Namesodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
SMILESC/C=C\OS(=O)([O-])=S.[Na+]
InChIInChI=1S/C3H6O3S2.Na/c1-2-3-6-8(4,5)7;/h2-3H,1H3,(H,4,5,7);/q;+1/p-1/b3-2-;
InChIKeyLAEVZQUCTQQLPN-OLGQORCHSA-M
XLogP-2.67
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-2.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

bis(prop-1-enyl) sulfate
CID 141083359
sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 174270371
dilithium;prop-1-enyl phosphate
CID 177307945
[(E)-prop-1-enyl] 4-aminobenzenesulfonate
CID 91805655
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
CID 174901688
sodium;zinc;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18448863
[(E)-prop-1-enyl] butane-1-sulfonate
CID 90961411
disodium;prop-1-ene;sulfate
CID 172734907
sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide
CID 88779845
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrogen peroxide
CID 159432159
prop-1-enyl 2-cyanoethanesulfonate
CID 91501748
prop-1-enyl N-prop-2-enoylsulfamate
CID 174424200

Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane (CID 175640044) is sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane is C/C=C\OS(=O)([O-])=S.[Na+].
What is the InChIKey of sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
The InChIKey is LAEVZQUCTQQLPN-OLGQORCHSA-M. The full InChI is InChI=1S/C3H6O3S2.Na/c1-2-3-6-8(4,5)7;/h2-3H,1H3,(H,4,5,7);/q;+1/p-1/b3-2-;.
What are the key properties of sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane?
sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane has a molecular weight of 176.19 g/mol, XLogP of -2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 175640044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).