CID 520586

HO3S — CID 520586

IUPAC—
SMILES[O]S(=O)O
InChIInChI=1S/HO3S/c1-4(2)3/h(H,1,2)
InChIKeyXPRXJFAFJFZWTC-UHFFFAOYSA-N
MW81.07 g/mol
LogP-0.45
Rot. Bonds

About CID 520586

CID 520586 (PubChem CID 520586) has the molecular formula HO3S and a molecular weight of 81.07 g/mol.

Molecular Properties

Compound NameCID 520586
PubChem CID520586
Molecular FormulaHO3S
Molecular Weight81.07 g/mol
Exact Mass80.96
IUPAC Name—
SMILES[O]S(=O)O
InChIInChI=1S/HO3S/c1-4(2)3/h(H,1,2)
InChIKeyXPRXJFAFJFZWTC-UHFFFAOYSA-N
XLogP-0.45
TPSA57.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.07
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 520586?
The IUPAC name of CID 520586 (CID 520586) is not available.
What is the SMILES notation for CID 520586?
The canonical SMILES for CID 520586 is [O]S(=O)O.
What is the InChIKey of CID 520586?
The InChIKey is XPRXJFAFJFZWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/HO3S/c1-4(2)3/h(H,1,2).
What are the key properties of CID 520586?
CID 520586 has a molecular weight of 81.07 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 520586 is sourced from PubChem (CID 520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).