CID 135260368

C6H6Na2O8S2 — CID 135260368

IUPAC—
SMILESO=S(=O)(OO)c1ccccc1S(=O)(=O)OO.[Na].[Na]
InChIInChI=1S/C6H6O8S2.2Na/c7-13-15(9,10)5-3-1-2-4-6(5)16(11,12)14-8;;/h1-4,7-8H;;
InChIKeyCULYTLJGHPLPBT-UHFFFAOYSA-N
MW316.22 g/mol
LogP-0.72
Rot. Bonds4

About CID 135260368

CID 135260368 (PubChem CID 135260368) has the molecular formula C6H6Na2O8S2 and a molecular weight of 316.22 g/mol.

Molecular Properties

Compound NameCID 135260368
PubChem CID135260368
Molecular FormulaC6H6Na2O8S2
Molecular Weight316.22 g/mol
Exact Mass315.93
IUPAC Name—
SMILESO=S(=O)(OO)c1ccccc1S(=O)(=O)OO.[Na].[Na]
InChIInChI=1S/C6H6O8S2.2Na/c7-13-15(9,10)5-3-1-2-4-6(5)16(11,12)14-8;;/h1-4,7-8H;;
InChIKeyCULYTLJGHPLPBT-UHFFFAOYSA-N
XLogP-0.72
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbenzenesulfonoperoxoic acid
CID 175563588
3-hydroxybenzene-1,2-disulfonoperoxoic acid
CID 174848734
calcium;hydride;2-methoxysulfonylbenzenesulfonic acid
CID 175368387
5-benzoyl-2-methoxybenzenesulfonoperoxoic acid
CID 18779398
(2-hydroxyphenyl)sulfonyloxy-methylphosphinic acid
CID 175120760
naphthalene;sulfuric acid
CID 69493753
1,2-bis(benzenesulfonyl)benzene
CID 19980733
4-naphthalen-1-ylsulfonyloxybenzenesulfonic acid
CID 142649275
benzenesulfonic acid;2,2-dimethoxypropane
CID 90422071
CID 87599032
CID 87599032
naphthalene-1-sulfonic acid
CID 158712346
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388

Frequently Asked Questions

What is the IUPAC name of CID 135260368?
The IUPAC name of CID 135260368 (CID 135260368) is not available.
What is the SMILES notation for CID 135260368?
The canonical SMILES for CID 135260368 is O=S(=O)(OO)c1ccccc1S(=O)(=O)OO.[Na].[Na].
What is the InChIKey of CID 135260368?
The InChIKey is CULYTLJGHPLPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O8S2.2Na/c7-13-15(9,10)5-3-1-2-4-6(5)16(11,12)14-8;;/h1-4,7-8H;;.
What are the key properties of CID 135260368?
CID 135260368 has a molecular weight of 316.22 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135260368 is sourced from PubChem (CID 135260368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).