CID 58391572

CH3O3S — CID 58391572

IUPAC—
SMILES[CH2]S(=O)(=O)O
InChIInChI=1S/CH3O3S/c1-5(2,3)4/h1H2,(H,2,3,4)
InChIKeyABQNKVCIHZCTHY-UHFFFAOYSA-N
MW95.10 g/mol
LogP-0.33
Rot. Bonds

About CID 58391572

CID 58391572 (PubChem CID 58391572) has the molecular formula CH3O3S and a molecular weight of 95.10 g/mol.

Molecular Properties

Compound NameCID 58391572
PubChem CID58391572
Molecular FormulaCH3O3S
Molecular Weight95.10 g/mol
Exact Mass94.98
IUPAC Name—
SMILES[CH2]S(=O)(=O)O
InChIInChI=1S/CH3O3S/c1-5(2,3)4/h1H2,(H,2,3,4)
InChIKeyABQNKVCIHZCTHY-UHFFFAOYSA-N
XLogP-0.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58391572?
The IUPAC name of CID 58391572 (CID 58391572) is not available.
What is the SMILES notation for CID 58391572?
The canonical SMILES for CID 58391572 is [CH2]S(=O)(=O)O.
What is the InChIKey of CID 58391572?
The InChIKey is ABQNKVCIHZCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O3S/c1-5(2,3)4/h1H2,(H,2,3,4).
What are the key properties of CID 58391572?
CID 58391572 has a molecular weight of 95.10 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58391572 is sourced from PubChem (CID 58391572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).