sodium;2-cyanoethanesulfinic acid;hydride

C3H6NNaO2S — CID 173453006

IUPACsodium;2-cyanoethanesulfinic acid;hydride
SMILESN#CCCS(=O)O.[H-].[Na+]
InChIInChI=1S/C3H5NO2S.Na.H/c4-2-1-3-7(5)6;;/h1,3H2,(H,5,6);;/q;+1;-1
InChIKeyBWPGTLQUORHBRQ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-2.76
Rot. Bonds2

About sodium;2-cyanoethanesulfinic acid;hydride

sodium;2-cyanoethanesulfinic acid;hydride (PubChem CID 173453006) has the molecular formula C3H6NNaO2S and a molecular weight of 143.14 g/mol. Its IUPAC name is sodium;2-cyanoethanesulfinic acid;hydride.

Molecular Properties

Compound Namesodium;2-cyanoethanesulfinic acid;hydride
PubChem CID173453006
Molecular FormulaC3H6NNaO2S
Molecular Weight143.14 g/mol
Exact Mass143.00
IUPAC Namesodium;2-cyanoethanesulfinic acid;hydride
SMILESN#CCCS(=O)O.[H-].[Na+]
InChIInChI=1S/C3H5NO2S.Na.H/c4-2-1-3-7(5)6;;/h1,3H2,(H,5,6);;/q;+1;-1
InChIKeyBWPGTLQUORHBRQ-UHFFFAOYSA-N
XLogP-2.76
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyanobutane-1-sulfinic acid
CID 91036742
ethane-1,2-disulfinic acid
CID 15180980
sodium;hydride;hydroxymethanesulfinic acid;dihydrate
CID 173024972
sodium;hydride;sulfurous acid;hydrate
CID 173091815
disodium;hydride;sulfurous acid;hydrate
CID 173356771
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
4-(2-aminopropylsulfinyl)butanenitrile
CID 81189772
sodium;hexane-1-sulfinic acid;hydride
CID 173414906
2-cyclobutylethanesulfinic acid
CID 57445488
3-(4-chlorophenyl)sulfinylpropanenitrile
CID 64691273
methyl 3-(3-cyanopropylsulfinyl)-2-methylpropanoate
CID 66114462
potassium;hydride;sulfurous acid;dihydrate
CID 173187003

Frequently Asked Questions

What is the IUPAC name of sodium;2-cyanoethanesulfinic acid;hydride?
The IUPAC name of sodium;2-cyanoethanesulfinic acid;hydride (CID 173453006) is sodium;2-cyanoethanesulfinic acid;hydride.
What is the SMILES notation for sodium;2-cyanoethanesulfinic acid;hydride?
The canonical SMILES for sodium;2-cyanoethanesulfinic acid;hydride is N#CCCS(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-cyanoethanesulfinic acid;hydride?
The InChIKey is BWPGTLQUORHBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S.Na.H/c4-2-1-3-7(5)6;;/h1,3H2,(H,5,6);;/q;+1;-1.
What are the key properties of sodium;2-cyanoethanesulfinic acid;hydride?
sodium;2-cyanoethanesulfinic acid;hydride has a molecular weight of 143.14 g/mol, XLogP of -2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-cyanoethanesulfinic acid;hydride is sourced from PubChem (CID 173453006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).