CID 88835909

C8H8KO3S — CID 88835909

IUPAC—
SMILESC=COS(=O)(=O)c1ccccc1.[K]
InChIInChI=1S/C8H8O3S.K/c1-2-11-12(9,10)8-6-4-3-5-7-8;/h2-7H,1H2;
InChIKeyOMNSJWQRKOCQOJ-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.15
Rot. Bonds3

About CID 88835909

CID 88835909 (PubChem CID 88835909) has the molecular formula C8H8KO3S and a molecular weight of 223.31 g/mol.

Molecular Properties

Compound NameCID 88835909
PubChem CID88835909
Molecular FormulaC8H8KO3S
Molecular Weight223.31 g/mol
Exact Mass222.98
IUPAC Name—
SMILESC=COS(=O)(=O)c1ccccc1.[K]
InChIInChI=1S/C8H8O3S.K/c1-2-11-12(9,10)8-6-4-3-5-7-8;/h2-7H,1H2;
InChIKeyOMNSJWQRKOCQOJ-UHFFFAOYSA-N
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

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CID 54312072
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Frequently Asked Questions

What is the IUPAC name of CID 88835909?
The IUPAC name of CID 88835909 (CID 88835909) is not available.
What is the SMILES notation for CID 88835909?
The canonical SMILES for CID 88835909 is C=COS(=O)(=O)c1ccccc1.[K].
What is the InChIKey of CID 88835909?
The InChIKey is OMNSJWQRKOCQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.K/c1-2-11-12(9,10)8-6-4-3-5-7-8;/h2-7H,1H2;.
What are the key properties of CID 88835909?
CID 88835909 has a molecular weight of 223.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88835909 is sourced from PubChem (CID 88835909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).