bis(sulfanyl) oxalate

C2H2O4S2 — CID 87196771

IUPACbis(sulfanyl) oxalate
SMILESO=C(OS)C(=O)OS
InChIInChI=1S/C2H2O4S2/c3-1(5-7)2(4)6-8/h7-8H
InChIKeyUSCZPCNDNCJBPN-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.24
Rot. Bonds

About bis(sulfanyl) oxalate

bis(sulfanyl) oxalate (PubChem CID 87196771) has the molecular formula C2H2O4S2 and a molecular weight of 154.17 g/mol. Its IUPAC name is bis(sulfanyl) oxalate.

Molecular Properties

Compound Namebis(sulfanyl) oxalate
PubChem CID87196771
Molecular FormulaC2H2O4S2
Molecular Weight154.17 g/mol
Exact Mass153.94
IUPAC Namebis(sulfanyl) oxalate
SMILESO=C(OS)C(=O)OS
InChIInChI=1S/C2H2O4S2/c3-1(5-7)2(4)6-8/h7-8H
InChIKeyUSCZPCNDNCJBPN-UHFFFAOYSA-N
XLogP-0.24
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;sulfanyl acetate
CID 174466207
(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium
CID 16706493
sulfanyl 2-sulfanylacetate
CID 54111744
sulfanyl hydroxysulfanylformate
CID 139960030
bis(sulfanyl) butanedioate;gadolinium
CID 88618460
CID 162323307
CID 162323307
4-oxo-4-sulfanyloxybutanoic acid
CID 3015495
dimethyltin(2+);sulfanyl 2-hydroxyacetate
CID 19434703
sulfanyl 3-methylbutanoate
CID 22000008
sulfanyl 2-(methylamino)acetate
CID 150047574
prop-1-ene;sulfanyl prop-2-enoate
CID 159134207
carbonic acid;ruthenium
CID 87059075

Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl) oxalate?
The IUPAC name of bis(sulfanyl) oxalate (CID 87196771) is bis(sulfanyl) oxalate.
What is the SMILES notation for bis(sulfanyl) oxalate?
The canonical SMILES for bis(sulfanyl) oxalate is O=C(OS)C(=O)OS.
What is the InChIKey of bis(sulfanyl) oxalate?
The InChIKey is USCZPCNDNCJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4S2/c3-1(5-7)2(4)6-8/h7-8H.
What are the key properties of bis(sulfanyl) oxalate?
bis(sulfanyl) oxalate has a molecular weight of 154.17 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl) oxalate is sourced from PubChem (CID 87196771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).