potassium 3-chloropropyl sulfite

C3H6ClKO3S — CID 174658395

IUPACpotassium 3-chloropropyl sulfite
SMILESO=S([O-])OCCCCl.[K+]
InChIInChI=1S/C3H7ClO3S.K/c4-2-1-3-7-8(5)6;/h1-3H2,(H,5,6);/q;+1/p-1
InChIKeyVCRYXNAOLXXUEO-UHFFFAOYSA-M
MW196.70 g/mol
LogP-2.57
Rot. Bonds4

About potassium 3-chloropropyl sulfite

potassium 3-chloropropyl sulfite (PubChem CID 174658395) has the molecular formula C3H6ClKO3S and a molecular weight of 196.70 g/mol. Its IUPAC name is potassium 3-chloropropyl sulfite.

Molecular Properties

Compound Namepotassium 3-chloropropyl sulfite
PubChem CID174658395
Molecular FormulaC3H6ClKO3S
Molecular Weight196.70 g/mol
Exact Mass195.94
IUPAC Namepotassium 3-chloropropyl sulfite
SMILESO=S([O-])OCCCCl.[K+]
InChIInChI=1S/C3H7ClO3S.K/c4-2-1-3-7-8(5)6;/h1-3H2,(H,5,6);/q;+1/p-1
InChIKeyVCRYXNAOLXXUEO-UHFFFAOYSA-M
XLogP-2.57
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 5-2.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 3-fluoropropyl sulfite
CID 174672463
potassium;hydride;octyl sulfite
CID 174439661
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
5-aminopentyl sulfite
CID 57200749
3-(methylamino)propyl sulfite
CID 57067037
4-dimethylsilylbutyl sulfite
CID 123590265
lithium;dodecyl sulfite;hydride
CID 174417370
2-methoxyethyl sulfite
CID 54514151
3-pyrrolidin-1-ylpropyl sulfite
CID 174785148
sodium;hex-5-enyl sulfite;hydride
CID 174851694
4-(cyclohexylamino)butyl sulfite
CID 91264096
3-[(5-chloro-4-oxopentyl)-dimethylazaniumyl]propyl sulfite
CID 174973394

Frequently Asked Questions

What is the IUPAC name of potassium 3-chloropropyl sulfite?
The IUPAC name of potassium 3-chloropropyl sulfite (CID 174658395) is potassium 3-chloropropyl sulfite.
What is the SMILES notation for potassium 3-chloropropyl sulfite?
The canonical SMILES for potassium 3-chloropropyl sulfite is O=S([O-])OCCCCl.[K+].
What is the InChIKey of potassium 3-chloropropyl sulfite?
The InChIKey is VCRYXNAOLXXUEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7ClO3S.K/c4-2-1-3-7-8(5)6;/h1-3H2,(H,5,6);/q;+1/p-1.
What are the key properties of potassium 3-chloropropyl sulfite?
potassium 3-chloropropyl sulfite has a molecular weight of 196.70 g/mol, XLogP of -2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-chloropropyl sulfite is sourced from PubChem (CID 174658395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).