sodium;cyclopropylmethanesulfinic acid;hydride

C4H9NaO2S — CID 174898426

IUPACsodium;cyclopropylmethanesulfinic acid;hydride
SMILESO=S(O)CC1CC1.[H-].[Na+]
InChIInChI=1S/C4H8O2S.Na.H/c5-7(6)3-4-1-2-4;;/h4H,1-3H2,(H,5,6);;/q;+1;-1
InChIKeyKUNQIJMKBICZIP-UHFFFAOYSA-N
MW144.17 g/mol
LogP-2.27
Rot. Bonds2

About sodium;cyclopropylmethanesulfinic acid;hydride

sodium;cyclopropylmethanesulfinic acid;hydride (PubChem CID 174898426) has the molecular formula C4H9NaO2S and a molecular weight of 144.17 g/mol. Its IUPAC name is sodium;cyclopropylmethanesulfinic acid;hydride.

Molecular Properties

Compound Namesodium;cyclopropylmethanesulfinic acid;hydride
PubChem CID174898426
Molecular FormulaC4H9NaO2S
Molecular Weight144.17 g/mol
Exact Mass144.02
IUPAC Namesodium;cyclopropylmethanesulfinic acid;hydride
SMILESO=S(O)CC1CC1.[H-].[Na+]
InChIInChI=1S/C4H8O2S.Na.H/c5-7(6)3-4-1-2-4;;/h4H,1-3H2,(H,5,6);;/q;+1;-1
InChIKeyKUNQIJMKBICZIP-UHFFFAOYSA-N
XLogP-2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-2.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxan-4-ylmethanesulfinic acid
CID 115012984
cyclopropylmethyl-hydroxy-methylidene-λ4-sulfane
CID 158263378
2-cyclobutylethanesulfinic acid
CID 57445488
cyclobutylmethanesulfinamide
CID 143912187
sodium;hydride;hydroxymethanesulfinic acid;dihydrate
CID 173024972
(4-methylcyclohex-2-en-1-yl)methanesulfinic acid
CID 163788390
2-methylpropylsulfinylmethylcyclopropane
CID 21018607
[(3S)-3-aminopyrrolidin-1-yl]methanesulfinic acid
CID 174569351
cyclopropylmethylsulfinyl(piperidin-1-yl)methanone
CID 163386132
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
disodium;hydride;sulfurous acid;hydrate
CID 173356771
lithium;cyclopropanesulfinic acid;hydride
CID 173291744

Frequently Asked Questions

What is the IUPAC name of sodium;cyclopropylmethanesulfinic acid;hydride?
The IUPAC name of sodium;cyclopropylmethanesulfinic acid;hydride (CID 174898426) is sodium;cyclopropylmethanesulfinic acid;hydride.
What is the SMILES notation for sodium;cyclopropylmethanesulfinic acid;hydride?
The canonical SMILES for sodium;cyclopropylmethanesulfinic acid;hydride is O=S(O)CC1CC1.[H-].[Na+].
What is the InChIKey of sodium;cyclopropylmethanesulfinic acid;hydride?
The InChIKey is KUNQIJMKBICZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.Na.H/c5-7(6)3-4-1-2-4;;/h4H,1-3H2,(H,5,6);;/q;+1;-1.
What are the key properties of sodium;cyclopropylmethanesulfinic acid;hydride?
sodium;cyclopropylmethanesulfinic acid;hydride has a molecular weight of 144.17 g/mol, XLogP of -2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclopropylmethanesulfinic acid;hydride is sourced from PubChem (CID 174898426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).