sulfanyl 2-sulfanylacetate

C2H4O2S2 — CID 54111744

IUPACsulfanyl 2-sulfanylacetate
SMILESO=C(CS)OS
InChIInChI=1S/C2H4O2S2/c3-2(1-5)4-6/h5-6H,1H2
InChIKeyNHPNFPKZBUXGSU-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.30
Rot. Bonds1

About sulfanyl 2-sulfanylacetate

sulfanyl 2-sulfanylacetate (PubChem CID 54111744) has the molecular formula C2H4O2S2 and a molecular weight of 124.19 g/mol. Its IUPAC name is sulfanyl 2-sulfanylacetate.

Molecular Properties

Compound Namesulfanyl 2-sulfanylacetate
PubChem CID54111744
Molecular FormulaC2H4O2S2
Molecular Weight124.19 g/mol
Exact Mass123.97
IUPAC Namesulfanyl 2-sulfanylacetate
SMILESO=C(CS)OS
InChIInChI=1S/C2H4O2S2/c3-2(1-5)4-6/h5-6H,1H2
InChIKeyNHPNFPKZBUXGSU-UHFFFAOYSA-N
XLogP0.30
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(sulfanyl) butanedioate;gadolinium
CID 88618460
iodo 2-sulfanylacetate
CID 88672332
4-oxo-4-sulfanyloxybutanoic acid
CID 3015495
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
CID 88795318
CID 88795318
dimethylstannyl 2-sulfanylacetate
CID 173326806
sulfanyl 3-methylbutanoate
CID 22000008
methanethioyl 2-sulfanylacetate
CID 174854557
sulfanyl 2-(methylamino)acetate
CID 150047574
dimethyltin(2+);sulfanyl 2-hydroxyacetate
CID 19434703
2-(2-sulfanylacetyl)oxyethanethioic S-acid
CID 87366290
[dimethyl(silyloxy)silyl] 2-sulfanylacetate
CID 175831154

Frequently Asked Questions

What is the IUPAC name of sulfanyl 2-sulfanylacetate?
The IUPAC name of sulfanyl 2-sulfanylacetate (CID 54111744) is sulfanyl 2-sulfanylacetate.
What is the SMILES notation for sulfanyl 2-sulfanylacetate?
The canonical SMILES for sulfanyl 2-sulfanylacetate is O=C(CS)OS.
What is the InChIKey of sulfanyl 2-sulfanylacetate?
The InChIKey is NHPNFPKZBUXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S2/c3-2(1-5)4-6/h5-6H,1H2.
What are the key properties of sulfanyl 2-sulfanylacetate?
sulfanyl 2-sulfanylacetate has a molecular weight of 124.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl 2-sulfanylacetate is sourced from PubChem (CID 54111744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).