CID 21196877

H2O2S — CID 21196877

IUPAC—
SMILESOOS
InChIInChI=1S/H2O2S/c1-2-3/h1,3H
InChIKeyRBICMFAECANSMK-UHFFFAOYSA-N
MW66.08 g/mol
LogP0.32
Rot. Bonds

About CID 21196877

CID 21196877 (PubChem CID 21196877) has the molecular formula H2O2S and a molecular weight of 66.08 g/mol.

Molecular Properties

Compound NameCID 21196877
PubChem CID21196877
Molecular FormulaH2O2S
Molecular Weight66.08 g/mol
Exact Mass65.98
IUPAC Name—
SMILESOOS
InChIInChI=1S/H2O2S/c1-2-3/h1,3H
InChIKeyRBICMFAECANSMK-UHFFFAOYSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.08
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 21196877?
The IUPAC name of CID 21196877 (CID 21196877) is not available.
What is the SMILES notation for CID 21196877?
The canonical SMILES for CID 21196877 is OOS.
What is the InChIKey of CID 21196877?
The InChIKey is RBICMFAECANSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O2S/c1-2-3/h1,3H.
What are the key properties of CID 21196877?
CID 21196877 has a molecular weight of 66.08 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21196877 is sourced from PubChem (CID 21196877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).