CID 18914755

H2NO2S2- — CID 18914755

IUPAC—
SMILESO=S([O-])NS
InChIInChI=1S/H3NO2S2/c2-5(3)1-4/h1,4H,(H,2,3)/p-1
InChIKeyHJUHSKUTGBSYNM-UHFFFAOYSA-M
MW112.15 g/mol
LogP-0.79
Rot. Bonds1

About CID 18914755

CID 18914755 (PubChem CID 18914755) has the molecular formula H2NO2S2- and a molecular weight of 112.15 g/mol.

Molecular Properties

Compound NameCID 18914755
PubChem CID18914755
Molecular FormulaH2NO2S2-
Molecular Weight112.15 g/mol
Exact Mass111.95
IUPAC Name—
SMILESO=S([O-])NS
InChIInChI=1S/H3NO2S2/c2-5(3)1-4/h1,4H,(H,2,3)/p-1
InChIKeyHJUHSKUTGBSYNM-UHFFFAOYSA-M
XLogP-0.79
TPSA52.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18914755?
The IUPAC name of CID 18914755 (CID 18914755) is not available.
What is the SMILES notation for CID 18914755?
The canonical SMILES for CID 18914755 is O=S([O-])NS.
What is the InChIKey of CID 18914755?
The InChIKey is HJUHSKUTGBSYNM-UHFFFAOYSA-M. The full InChI is InChI=1S/H3NO2S2/c2-5(3)1-4/h1,4H,(H,2,3)/p-1.
What are the key properties of CID 18914755?
CID 18914755 has a molecular weight of 112.15 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18914755 is sourced from PubChem (CID 18914755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).