CID 140664844

HO3S — CID 140664844

IUPAC—
SMILES[3H]S([O])(=O)=O
InChIInChI=1S/HO3S/c1-4(2)3/h4H/i4T
InChIKeyXDYBIPXVKHSRRE-IBTRZKOZSA-N
MW83.08 g/mol
LogP-1.06
Rot. Bonds

About CID 140664844

CID 140664844 (PubChem CID 140664844) has the molecular formula HO3S and a molecular weight of 83.08 g/mol.

Molecular Properties

Compound NameCID 140664844
PubChem CID140664844
Molecular FormulaHO3S
Molecular Weight83.08 g/mol
Exact Mass82.97
IUPAC Name—
SMILES[3H]S([O])(=O)=O
InChIInChI=1S/HO3S/c1-4(2)3/h4H/i4T
InChIKeyXDYBIPXVKHSRRE-IBTRZKOZSA-N
XLogP-1.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.08
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140664844?
The IUPAC name of CID 140664844 (CID 140664844) is not available.
What is the SMILES notation for CID 140664844?
The canonical SMILES for CID 140664844 is [3H]S([O])(=O)=O.
What is the InChIKey of CID 140664844?
The InChIKey is XDYBIPXVKHSRRE-IBTRZKOZSA-N. The full InChI is InChI=1S/HO3S/c1-4(2)3/h4H/i4T.
What are the key properties of CID 140664844?
CID 140664844 has a molecular weight of 83.08 g/mol, XLogP of -1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140664844 is sourced from PubChem (CID 140664844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).