sodium;chloroform;hydride;sulfurous acid

CH4Cl3NaO3S — CID 174803854

IUPACsodium;chloroform;hydride;sulfurous acid
SMILESClC(Cl)Cl.O=S(O)O.[H-].[Na+]
InChIInChI=1S/CHCl3.Na.H2O3S.H/c2-1(3)4;;1-4(2)3;/h1H;;(H2,1,2,3);/q;+1;;-1
InChIKeyCMYMUVRZOZCYBM-UHFFFAOYSA-N
MW225.46 g/mol
LogP-1.22
Rot. Bonds

About sodium;chloroform;hydride;sulfurous acid

sodium;chloroform;hydride;sulfurous acid (PubChem CID 174803854) has the molecular formula CH4Cl3NaO3S and a molecular weight of 225.46 g/mol. Its IUPAC name is sodium;chloroform;hydride;sulfurous acid.

Molecular Properties

Compound Namesodium;chloroform;hydride;sulfurous acid
PubChem CID174803854
Molecular FormulaCH4Cl3NaO3S
Molecular Weight225.46 g/mol
Exact Mass223.88
IUPAC Namesodium;chloroform;hydride;sulfurous acid
SMILESClC(Cl)Cl.O=S(O)O.[H-].[Na+]
InChIInChI=1S/CHCl3.Na.H2O3S.H/c2-1(3)4;;1-4(2)3;/h1H;;(H2,1,2,3);/q;+1;;-1
InChIKeyCMYMUVRZOZCYBM-UHFFFAOYSA-N
XLogP-1.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174437029
sodium;hydride;sulfurous acid;hydrate
CID 173091815
disodium;hydride;sulfurous acid;hydrate
CID 173356771
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
disodium;azane;hydride;iron;sulfurous acid
CID 173314683
lithium;sodium;hydride;sulfurous acid;chloride
CID 174932219
potassium;hydride;palladium;sulfurous acid
CID 173324276
potassium;hydride;sulfurous acid;dihydrate
CID 173187003
calcium;copper;hydride;sulfurous acid
CID 175249071
magnesium;hydride;λ2-plumbane;sulfurous acid
CID 175491102
dipotassium;disodium;hydride;sulfurous acid;sulfite
CID 173373429
arsane;sulfurous acid
CID 173343664

Frequently Asked Questions

What is the IUPAC name of sodium;chloroform;hydride;sulfurous acid?
The IUPAC name of sodium;chloroform;hydride;sulfurous acid (CID 174803854) is sodium;chloroform;hydride;sulfurous acid.
What is the SMILES notation for sodium;chloroform;hydride;sulfurous acid?
The canonical SMILES for sodium;chloroform;hydride;sulfurous acid is ClC(Cl)Cl.O=S(O)O.[H-].[Na+].
What is the InChIKey of sodium;chloroform;hydride;sulfurous acid?
The InChIKey is CMYMUVRZOZCYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3.Na.H2O3S.H/c2-1(3)4;;1-4(2)3;/h1H;;(H2,1,2,3);/q;+1;;-1.
What are the key properties of sodium;chloroform;hydride;sulfurous acid?
sodium;chloroform;hydride;sulfurous acid has a molecular weight of 225.46 g/mol, XLogP of -1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloroform;hydride;sulfurous acid is sourced from PubChem (CID 174803854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).