sodium;methanone;sulfanediol

CH3NaO3S — CID 87276429

IUPACsodium;methanone;sulfanediol
SMILESOSO.[CH-]=O.[Na+]
InChIInChI=1S/CHO.Na.H2O2S/c1-2;;1-3-2/h1H;;1-2H/q-1;+1;
InChIKeyCNVUZSYJIMCBSC-UHFFFAOYSA-N
MW118.09 g/mol
LogP-2.60
Rot. Bonds

About sodium;methanone;sulfanediol

sodium;methanone;sulfanediol (PubChem CID 87276429) has the molecular formula CH3NaO3S and a molecular weight of 118.09 g/mol. Its IUPAC name is sodium;methanone;sulfanediol.

Molecular Properties

Compound Namesodium;methanone;sulfanediol
PubChem CID87276429
Molecular FormulaCH3NaO3S
Molecular Weight118.09 g/mol
Exact Mass117.97
IUPAC Namesodium;methanone;sulfanediol
SMILESOSO.[CH-]=O.[Na+]
InChIInChI=1S/CHO.Na.H2O2S/c1-2;;1-3-2/h1H;;1-2H/q-1;+1;
InChIKeyCNVUZSYJIMCBSC-UHFFFAOYSA-N
XLogP-2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-2.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;sulfanediol
CID 174652713
disodium;methanone
CID 21138399
sodium;carbanide;methanone
CID 58059383
dioxouranium(2+);sulfanediol
CID 175754539
sodium;oxaldehydate;sulfanediol
CID 129165189
acetic acid;sulfanediol
CID 87083890
dihydroxy(oxo)germane;hexahydrofluoride
CID 173047885
methanone;rhodium
CID 87421568
methanone;protactinium
CID 23382582
methane;methanone
CID 159005271
methanone;technetium
CID 87143349
manganese;methanone
CID 87144704

Frequently Asked Questions

What is the IUPAC name of sodium;methanone;sulfanediol?
The IUPAC name of sodium;methanone;sulfanediol (CID 87276429) is sodium;methanone;sulfanediol.
What is the SMILES notation for sodium;methanone;sulfanediol?
The canonical SMILES for sodium;methanone;sulfanediol is OSO.[CH-]=O.[Na+].
What is the InChIKey of sodium;methanone;sulfanediol?
The InChIKey is CNVUZSYJIMCBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO.Na.H2O2S/c1-2;;1-3-2/h1H;;1-2H/q-1;+1;.
What are the key properties of sodium;methanone;sulfanediol?
sodium;methanone;sulfanediol has a molecular weight of 118.09 g/mol, XLogP of -2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanone;sulfanediol is sourced from PubChem (CID 87276429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).