disodium;cyclopropane;sulfite

C3H6Na2O3S — CID 175924940

IUPACdisodium;cyclopropane;sulfite
SMILESC1CC1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H6.2Na.H2O3S/c1-2-3-1;;;1-4(2)3/h1-3H2;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyIKNMVIOERHXKLT-UHFFFAOYSA-L
MW168.12 g/mol
LogP-5.83
Rot. Bonds

About disodium;cyclopropane;sulfite

disodium;cyclopropane;sulfite (PubChem CID 175924940) has the molecular formula C3H6Na2O3S and a molecular weight of 168.12 g/mol. Its IUPAC name is disodium;cyclopropane;sulfite.

Molecular Properties

Compound Namedisodium;cyclopropane;sulfite
PubChem CID175924940
Molecular FormulaC3H6Na2O3S
Molecular Weight168.12 g/mol
Exact Mass167.98
IUPAC Namedisodium;cyclopropane;sulfite
SMILESC1CC1.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H6.2Na.H2O3S/c1-2-3-1;;;1-4(2)3/h1-3H2;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyIKNMVIOERHXKLT-UHFFFAOYSA-L
XLogP-5.83
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-5.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of disodium;cyclopropane;sulfite?
The IUPAC name of disodium;cyclopropane;sulfite (CID 175924940) is disodium;cyclopropane;sulfite.
What is the SMILES notation for disodium;cyclopropane;sulfite?
The canonical SMILES for disodium;cyclopropane;sulfite is C1CC1.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;cyclopropane;sulfite?
The InChIKey is IKNMVIOERHXKLT-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6.2Na.H2O3S/c1-2-3-1;;;1-4(2)3/h1-3H2;;;(H2,1,2,3)/q;2*+1;/p-2.
What are the key properties of disodium;cyclopropane;sulfite?
disodium;cyclopropane;sulfite has a molecular weight of 168.12 g/mol, XLogP of -5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;cyclopropane;sulfite is sourced from PubChem (CID 175924940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).