disodium;anisole;sulfite

C7H8Na2O4S — CID 158776652

IUPACdisodium;anisole;sulfite
SMILESCOc1ccccc1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C7H8O.2Na.H2O3S/c1-8-7-5-3-2-4-6-7;;;1-4(2)3/h2-6H,1H3;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyWRXJIJUQQFTBOU-UHFFFAOYSA-L
MW234.18 g/mol
LogP-5.30
Rot. Bonds1

About disodium;anisole;sulfite

disodium;anisole;sulfite (PubChem CID 158776652) has the molecular formula C7H8Na2O4S and a molecular weight of 234.18 g/mol. Its IUPAC name is disodium;anisole;sulfite.

Molecular Properties

Compound Namedisodium;anisole;sulfite
PubChem CID158776652
Molecular FormulaC7H8Na2O4S
Molecular Weight234.18 g/mol
Exact Mass233.99
IUPAC Namedisodium;anisole;sulfite
SMILESCOc1ccccc1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C7H8O.2Na.H2O3S/c1-8-7-5-3-2-4-6-7;;;1-4(2)3/h2-6H,1H3;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyWRXJIJUQQFTBOU-UHFFFAOYSA-L
XLogP-5.30
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-5.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
acetylene;anisole
CID 86033716
sodium (4-methoxyphenyl) sulfite
CID 175083766
anisole;ethane;propan-2-one
CID 164986667
sodium phenyl sulfite
CID 68748465
anisole;isocyanic acid
CID 175305824
phenyl 4-methoxybenzenesulfinate
CID 20694097
anisole;diiodozinc
CID 174569089
anisole;trifluoroborane
CID 174665057
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050

Frequently Asked Questions

What is the IUPAC name of disodium;anisole;sulfite?
The IUPAC name of disodium;anisole;sulfite (CID 158776652) is disodium;anisole;sulfite.
What is the SMILES notation for disodium;anisole;sulfite?
The canonical SMILES for disodium;anisole;sulfite is COc1ccccc1.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;anisole;sulfite?
The InChIKey is WRXJIJUQQFTBOU-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8O.2Na.H2O3S/c1-8-7-5-3-2-4-6-7;;;1-4(2)3/h2-6H,1H3;;;(H2,1,2,3)/q;2*+1;/p-2.
What are the key properties of disodium;anisole;sulfite?
disodium;anisole;sulfite has a molecular weight of 234.18 g/mol, XLogP of -5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;anisole;sulfite is sourced from PubChem (CID 158776652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).