sodium;hydride;hydroxymethanesulfinic acid;dihydrate

CH9NaO5S — CID 173024972

IUPACsodium;hydride;hydroxymethanesulfinic acid;dihydrate
SMILESO.O.O=S(O)CO.[H-].[Na+]
InChIInChI=1S/CH4O3S.Na.2H2O.H/c2-1-5(3)4;;;;/h2H,1H2,(H,3,4);;2*1H2;/q;+1;;;-1
InChIKeyQKDYWKWMNZDDQF-UHFFFAOYSA-N
MW156.13 g/mol
LogP-5.38
Rot. Bonds1

About sodium;hydride;hydroxymethanesulfinic acid;dihydrate

sodium;hydride;hydroxymethanesulfinic acid;dihydrate (PubChem CID 173024972) has the molecular formula CH9NaO5S and a molecular weight of 156.13 g/mol. Its IUPAC name is sodium;hydride;hydroxymethanesulfinic acid;dihydrate.

Molecular Properties

Compound Namesodium;hydride;hydroxymethanesulfinic acid;dihydrate
PubChem CID173024972
Molecular FormulaCH9NaO5S
Molecular Weight156.13 g/mol
Exact Mass156.01
IUPAC Namesodium;hydride;hydroxymethanesulfinic acid;dihydrate
SMILESO.O.O=S(O)CO.[H-].[Na+]
InChIInChI=1S/CH4O3S.Na.2H2O.H/c2-1-5(3)4;;;;/h2H,1H2,(H,3,4);;2*1H2;/q;+1;;;-1
InChIKeyQKDYWKWMNZDDQF-UHFFFAOYSA-N
XLogP-5.38
TPSA120.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 5-5.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;sulfurous acid;hydrate
CID 173091815
disodium;hydride;sulfurous acid;hydrate
CID 173356771
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
sodium;hydride;methylsulfinylmethanol
CID 173447451
potassium;hydride;sulfurous acid;dihydrate
CID 173187003
sodium;hydride;sulfane;sulfurous acid
CID 174437029
sodium ethanesulfinic acid
CID 19960758
sodium;2-cyanoethanesulfinic acid;hydride
CID 173453006
arsane;sulfurous acid
CID 173343664
sodium;ethane-1,2-diol;hydrogen sulfite
CID 23678211
lithium;sodium;hydride;sulfurous acid;chloride
CID 174932219
disodium;azane;hydride;iron;sulfurous acid
CID 173314683

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;hydroxymethanesulfinic acid;dihydrate?
The IUPAC name of sodium;hydride;hydroxymethanesulfinic acid;dihydrate (CID 173024972) is sodium;hydride;hydroxymethanesulfinic acid;dihydrate.
What is the SMILES notation for sodium;hydride;hydroxymethanesulfinic acid;dihydrate?
The canonical SMILES for sodium;hydride;hydroxymethanesulfinic acid;dihydrate is O.O.O=S(O)CO.[H-].[Na+].
What is the InChIKey of sodium;hydride;hydroxymethanesulfinic acid;dihydrate?
The InChIKey is QKDYWKWMNZDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.Na.2H2O.H/c2-1-5(3)4;;;;/h2H,1H2,(H,3,4);;2*1H2;/q;+1;;;-1.
What are the key properties of sodium;hydride;hydroxymethanesulfinic acid;dihydrate?
sodium;hydride;hydroxymethanesulfinic acid;dihydrate has a molecular weight of 156.13 g/mol, XLogP of -5.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;hydroxymethanesulfinic acid;dihydrate is sourced from PubChem (CID 173024972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).