CID 173007913

H21NaO9S2 — CID 173007913

IUPAC—
SMILESO.O.O.O.O.O.O.O.O.SS.[H-].[Na+]
InChIInChI=1S/Na.9H2O.H2S2.H/c;;;;;;;;;;1-2;/h;9*1H2;1-2H;/q+1;;;;;;;;;;;-1
InChIKeySNZXAZILQSZRKL-UHFFFAOYSA-N
MW252.28 g/mol
LogP-9.54
Rot. Bonds

About CID 173007913

CID 173007913 (PubChem CID 173007913) has the molecular formula H21NaO9S2 and a molecular weight of 252.28 g/mol.

Molecular Properties

Compound NameCID 173007913
PubChem CID173007913
Molecular FormulaH21NaO9S2
Molecular Weight252.28 g/mol
Exact Mass252.05
IUPAC Name—
SMILESO.O.O.O.O.O.O.O.O.SS.[H-].[Na+]
InChIInChI=1S/Na.9H2O.H2S2.H/c;;;;;;;;;;1-2;/h;9*1H2;1-2H;/q+1;;;;;;;;;;;-1
InChIKeySNZXAZILQSZRKL-UHFFFAOYSA-N
XLogP-9.54
TPSA283.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-9.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

heptasodium;hydride;trihydrate
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pentasodium;hydride;triacontahydrate
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disodium;hydride;decahydrate
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tetrasodium;hydride;trihydrate
CID 173330721
disodium;hydride;hexahydrate
CID 172995250
pentasodium;hydride;octahydrate
CID 173437212
tetradecasodium;hydride;hydrate
CID 173400182
tetracosasodium;hydride;dihydrate
CID 173395672
sodium;hydride;λ2-stannane;tetrahydrate
CID 174676418
sodium;azane;hydride;tetrahydrate
CID 173295506
sodium;bismuthane;hydride;dihydrate
CID 174998314
sodium;azane;hydride;dihydrate
CID 174897879

Frequently Asked Questions

What is the IUPAC name of CID 173007913?
The IUPAC name of CID 173007913 (CID 173007913) is not available.
What is the SMILES notation for CID 173007913?
The canonical SMILES for CID 173007913 is O.O.O.O.O.O.O.O.O.SS.[H-].[Na+].
What is the InChIKey of CID 173007913?
The InChIKey is SNZXAZILQSZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/Na.9H2O.H2S2.H/c;;;;;;;;;;1-2;/h;9*1H2;1-2H;/q+1;;;;;;;;;;;-1.
What are the key properties of CID 173007913?
CID 173007913 has a molecular weight of 252.28 g/mol, XLogP of -9.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173007913 is sourced from PubChem (CID 173007913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).