CID 70636806

C12H10Na2O4S — CID 70636806

IUPAC—
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.[Na].[Na]
InChIInChI=1S/C12H10O4S.2Na/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;
InChIKeyRJRMISKUJGROGZ-UHFFFAOYSA-N
MW296.26 g/mol
LogP1.17
Rot. Bonds2

About CID 70636806

CID 70636806 (PubChem CID 70636806) has the molecular formula C12H10Na2O4S and a molecular weight of 296.26 g/mol.

Molecular Properties

Compound NameCID 70636806
PubChem CID70636806
Molecular FormulaC12H10Na2O4S
Molecular Weight296.26 g/mol
Exact Mass296.01
IUPAC Name—
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.[Na].[Na]
InChIInChI=1S/C12H10O4S.2Na/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;
InChIKeyRJRMISKUJGROGZ-UHFFFAOYSA-N
XLogP1.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze CID 70636806 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 170852655
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenol
CID 135852852
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
4-(4-prop-1-enylphenyl)sulfonylphenol
CID 67220481
4-(3-methylphenyl)sulfonylphenol
CID 19739466
2-[4-(4-hydroxyphenyl)sulfonylphenyl]prop-2-enoate
CID 21087664
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
[4-(4-hydroxyphenyl)sulfonylphenyl] cyanate
CID 21395860
CID 131880553
CID 131880553

Frequently Asked Questions

What is the IUPAC name of CID 70636806?
The IUPAC name of CID 70636806 (CID 70636806) is not available.
What is the SMILES notation for CID 70636806?
The canonical SMILES for CID 70636806 is O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.[Na].[Na].
What is the InChIKey of CID 70636806?
The InChIKey is RJRMISKUJGROGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.2Na/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;.
What are the key properties of CID 70636806?
CID 70636806 has a molecular weight of 296.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70636806 is sourced from PubChem (CID 70636806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).