cyclopropyl sulfite

C3H5O3S- — CID 57041624

IUPACcyclopropyl sulfite
SMILESO=S([O-])OC1CC1
InChIInChI=1S/C3H6O3S/c4-7(5)6-3-1-2-3/h3H,1-2H2,(H,4,5)/p-1
InChIKeyBWHMLLYOBVIHFG-UHFFFAOYSA-M
MW121.14 g/mol
LogP-0.04
Rot. Bonds2

About cyclopropyl sulfite

cyclopropyl sulfite (PubChem CID 57041624) has the molecular formula C3H5O3S- and a molecular weight of 121.14 g/mol. Its IUPAC name is cyclopropyl sulfite.

Molecular Properties

Compound Namecyclopropyl sulfite
PubChem CID57041624
Molecular FormulaC3H5O3S-
Molecular Weight121.14 g/mol
Exact Mass121.00
IUPAC Namecyclopropyl sulfite
SMILESO=S([O-])OC1CC1
InChIInChI=1S/C3H6O3S/c4-7(5)6-3-1-2-3/h3H,1-2H2,(H,4,5)/p-1
InChIKeyBWHMLLYOBVIHFG-UHFFFAOYSA-M
XLogP-0.04
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.04
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 cyclopropyl sulfite?
The IUPAC name of cyclopropyl sulfite (CID 57041624) is cyclopropyl sulfite.
What is the SMILES notation for cyclopropyl sulfite?
The canonical SMILES for cyclopropyl sulfite is O=S([O-])OC1CC1.
What is the InChIKey of cyclopropyl sulfite?
The InChIKey is BWHMLLYOBVIHFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S/c4-7(5)6-3-1-2-3/h3H,1-2H2,(H,4,5)/p-1.
What are the key properties of cyclopropyl sulfite?
cyclopropyl sulfite has a molecular weight of 121.14 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl sulfite is sourced from PubChem (CID 57041624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).