sodium hydroxymethanethione

CHNaOS — CID 173013164

IUPACsodium hydroxymethanethione
SMILESO[C-]=S.[Na+]
InChIInChI=1S/CHOS.Na/c2-1-3;/h(H,2,3);/q-1;+1
InChIKeyHPHLAFKMJJVHOB-UHFFFAOYSA-N
MW84.07 g/mol
LogP-2.62
Rot. Bonds

About sodium hydroxymethanethione

sodium hydroxymethanethione (PubChem CID 173013164) has the molecular formula CHNaOS and a molecular weight of 84.07 g/mol. Its IUPAC name is sodium hydroxymethanethione.

Molecular Properties

Compound Namesodium hydroxymethanethione
PubChem CID173013164
Molecular FormulaCHNaOS
Molecular Weight84.07 g/mol
Exact Mass83.96
IUPAC Namesodium hydroxymethanethione
SMILESO[C-]=S.[Na+]
InChIInChI=1S/CHOS.Na/c2-1-3;/h(H,2,3);/q-1;+1
InChIKeyHPHLAFKMJJVHOB-UHFFFAOYSA-N
XLogP-2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze sodium hydroxymethanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;hydroxymethanone;phosphane
CID 159362533
disodium;hydroxymethanone;bis(iron(3+))
CID 173448481
hydroxymethanone
CID 54723866
sodium;manganese(2+);trihydroxide
CID 158497127
lithium iodomethanethione
CID 175924371
hydroxymethanone;ruthenium(1+)
CID 87059132
hydroxymethanone;vanadium
CID 59094876
lithium ethenol
CID 71335495
erbium(3+);hydroxymethanone
CID 173220930
hydroxymethanone;ruthenium(4+)
CID 172995275
bismuthane;hydroxymethanone;zinc
CID 174420136
copper(1+);hydroxymethanone;methane
CID 174882093

Frequently Asked Questions

What is the IUPAC name of sodium hydroxymethanethione?
The IUPAC name of sodium hydroxymethanethione (CID 173013164) is sodium hydroxymethanethione.
What is the SMILES notation for sodium hydroxymethanethione?
The canonical SMILES for sodium hydroxymethanethione is O[C-]=S.[Na+].
What is the InChIKey of sodium hydroxymethanethione?
The InChIKey is HPHLAFKMJJVHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/CHOS.Na/c2-1-3;/h(H,2,3);/q-1;+1.
What are the key properties of sodium hydroxymethanethione?
sodium hydroxymethanethione has a molecular weight of 84.07 g/mol, XLogP of -2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxymethanethione is sourced from PubChem (CID 173013164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).