CID 66692277

C6H10NaO4S — CID 66692277

IUPAC—
SMILESO.O.O=S(O)c1ccccc1.[Na]
InChIInChI=1S/C6H6O2S.Na.2H2O/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;2*1H2
InChIKeyVXHNTTQKSICYDD-UHFFFAOYSA-N
MW201.20 g/mol
LogP-0.76
Rot. Bonds1

About CID 66692277

CID 66692277 (PubChem CID 66692277) has the molecular formula C6H10NaO4S and a molecular weight of 201.20 g/mol.

Molecular Properties

Compound NameCID 66692277
PubChem CID66692277
Molecular FormulaC6H10NaO4S
Molecular Weight201.20 g/mol
Exact Mass201.02
IUPAC Name—
SMILESO.O.O=S(O)c1ccccc1.[Na]
InChIInChI=1S/C6H6O2S.Na.2H2O/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;2*1H2
InChIKeyVXHNTTQKSICYDD-UHFFFAOYSA-N
XLogP-0.76
TPSA100.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 5-0.76
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 66692277?
The IUPAC name of CID 66692277 (CID 66692277) is not available.
What is the SMILES notation for CID 66692277?
The canonical SMILES for CID 66692277 is O.O.O=S(O)c1ccccc1.[Na].
What is the InChIKey of CID 66692277?
The InChIKey is VXHNTTQKSICYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S.Na.2H2O/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;2*1H2.
What are the key properties of CID 66692277?
CID 66692277 has a molecular weight of 201.20 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66692277 is sourced from PubChem (CID 66692277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).