CID 140790215

HO3S- — CID 140790215

IUPAC—
SMILES[2H]S(=O)(=O)[O-]
InChIInChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1/i4D
InChIKeyBDHFUVZGWQCTTF-QYKNYGDISA-M
MW82.08 g/mol
LogP-1.27
Rot. Bonds

About CID 140790215

CID 140790215 (PubChem CID 140790215) has the molecular formula HO3S- and a molecular weight of 82.08 g/mol.

Molecular Properties

Compound NameCID 140790215
PubChem CID140790215
Molecular FormulaHO3S-
Molecular Weight82.08 g/mol
Exact Mass81.97
IUPAC Name—
SMILES[2H]S(=O)(=O)[O-]
InChIInChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1/i4D
InChIKeyBDHFUVZGWQCTTF-QYKNYGDISA-M
XLogP-1.27
TPSA57.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.08
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140790215?
The IUPAC name of CID 140790215 (CID 140790215) is not available.
What is the SMILES notation for CID 140790215?
The canonical SMILES for CID 140790215 is [2H]S(=O)(=O)[O-].
What is the InChIKey of CID 140790215?
The InChIKey is BDHFUVZGWQCTTF-QYKNYGDISA-M. The full InChI is InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1/i4D.
What are the key properties of CID 140790215?
CID 140790215 has a molecular weight of 82.08 g/mol, XLogP of -1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140790215 is sourced from PubChem (CID 140790215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).