sulfanylidenemethanesulfinate

CHO2S2- — CID 90981632

IUPACsulfanylidenemethanesulfinate
SMILESO=S([O-])C=S
InChIInChI=1S/CH2O2S2/c2-5(3)1-4/h1H,(H,2,3)/p-1
InChIKeyGHCCFNKTGQSVTH-UHFFFAOYSA-M
MW109.15 g/mol
LogP-0.18
Rot. Bonds1

About sulfanylidenemethanesulfinate

sulfanylidenemethanesulfinate (PubChem CID 90981632) has the molecular formula CHO2S2- and a molecular weight of 109.15 g/mol. Its IUPAC name is sulfanylidenemethanesulfinate.

Molecular Properties

Compound Namesulfanylidenemethanesulfinate
PubChem CID90981632
Molecular FormulaCHO2S2-
Molecular Weight109.15 g/mol
Exact Mass108.94
IUPAC Namesulfanylidenemethanesulfinate
SMILESO=S([O-])C=S
InChIInChI=1S/CH2O2S2/c2-5(3)1-4/h1H,(H,2,3)/p-1
InChIKeyGHCCFNKTGQSVTH-UHFFFAOYSA-M
XLogP-0.18
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfanylidenemethanesulfinate?
The IUPAC name of sulfanylidenemethanesulfinate (CID 90981632) is sulfanylidenemethanesulfinate.
What is the SMILES notation for sulfanylidenemethanesulfinate?
The canonical SMILES for sulfanylidenemethanesulfinate is O=S([O-])C=S.
What is the InChIKey of sulfanylidenemethanesulfinate?
The InChIKey is GHCCFNKTGQSVTH-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O2S2/c2-5(3)1-4/h1H,(H,2,3)/p-1.
What are the key properties of sulfanylidenemethanesulfinate?
sulfanylidenemethanesulfinate has a molecular weight of 109.15 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylidenemethanesulfinate is sourced from PubChem (CID 90981632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).