sodium cyclopropyl sulfite

C3H5NaO3S — CID 59034271

IUPACsodium cyclopropyl sulfite
SMILESO=S([O-])OC1CC1.[Na+]
InChIInChI=1S/C3H6O3S.Na/c4-7(5)6-3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1
InChIKeyBYVBHXPLTNVNDV-UHFFFAOYSA-M
MW144.13 g/mol
LogP-3.04
Rot. Bonds2

About sodium cyclopropyl sulfite

sodium cyclopropyl sulfite (PubChem CID 59034271) has the molecular formula C3H5NaO3S and a molecular weight of 144.13 g/mol. Its IUPAC name is sodium cyclopropyl sulfite.

Molecular Properties

Compound Namesodium cyclopropyl sulfite
PubChem CID59034271
Molecular FormulaC3H5NaO3S
Molecular Weight144.13 g/mol
Exact Mass143.99
IUPAC Namesodium cyclopropyl sulfite
SMILESO=S([O-])OC1CC1.[Na+]
InChIInChI=1S/C3H6O3S.Na/c4-7(5)6-3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1
InChIKeyBYVBHXPLTNVNDV-UHFFFAOYSA-M
XLogP-3.04
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium cyclopropyl sulfite?
The IUPAC name of sodium cyclopropyl sulfite (CID 59034271) is sodium cyclopropyl sulfite.
What is the SMILES notation for sodium cyclopropyl sulfite?
The canonical SMILES for sodium cyclopropyl sulfite is O=S([O-])OC1CC1.[Na+].
What is the InChIKey of sodium cyclopropyl sulfite?
The InChIKey is BYVBHXPLTNVNDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S.Na/c4-7(5)6-3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1.
What are the key properties of sodium cyclopropyl sulfite?
sodium cyclopropyl sulfite has a molecular weight of 144.13 g/mol, XLogP of -3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyclopropyl sulfite is sourced from PubChem (CID 59034271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).