sodium;azane;hydride;propan-2-yloxymethanedithioic acid

C4H12NNaOS2 — CID 174488756

IUPACsodium;azane;hydride;propan-2-yloxymethanedithioic acid
SMILESCC(C)OC(=S)S.N.[H-].[Na+]
InChIInChI=1S/C4H8OS2.H3N.Na.H/c1-3(2)5-4(6)7;;;/h3H,1-2H3,(H,6,7);1H3;;/q;;+1;-1
InChIKeyKKKKZUDIBDYQHL-UHFFFAOYSA-N
MW177.27 g/mol
LogP-1.10
Rot. Bonds1

About sodium;azane;hydride;propan-2-yloxymethanedithioic acid

sodium;azane;hydride;propan-2-yloxymethanedithioic acid (PubChem CID 174488756) has the molecular formula C4H12NNaOS2 and a molecular weight of 177.27 g/mol. Its IUPAC name is sodium;azane;hydride;propan-2-yloxymethanedithioic acid.

Molecular Properties

Compound Namesodium;azane;hydride;propan-2-yloxymethanedithioic acid
PubChem CID174488756
Molecular FormulaC4H12NNaOS2
Molecular Weight177.27 g/mol
Exact Mass177.03
IUPAC Namesodium;azane;hydride;propan-2-yloxymethanedithioic acid
SMILESCC(C)OC(=S)S.N.[H-].[Na+]
InChIInChI=1S/C4H8OS2.H3N.Na.H/c1-3(2)5-4(6)7;;;/h3H,1-2H3,(H,6,7);1H3;;/q;;+1;-1
InChIKeyKKKKZUDIBDYQHL-UHFFFAOYSA-N
XLogP-1.10
TPSA44.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyethoxymethanedithioic acid
CID 175134859
sodium;hydride;O-propan-2-yl hydroxysulfanylmethanethioate
CID 174932410
iron(2+);bis(propan-2-yloxymethanedithioate)
CID 87139851
sodium;ethoxymethanedithioic acid;hydride
CID 173025447
sodium;carbamodithioic acid;hydride
CID 173103786
1-[dithiocarboxy(2-hydroxypropyl)amino]propan-2-yloxymethanedithioic acid
CID 167049479
carbamodithioic acid;propan-2-ol
CID 71434937
cobalt;2-methylpropoxymethanedithioic acid
CID 175412800
azane;propan-2-yl carbamate
CID 172769477
1,2,2-tri(propan-2-yloxy)ethenylsilane
CID 71435618
O-propan-2-yl 4-methylpentanethioate
CID 158822646
propan-2-yl N-sulfanylcarbamate
CID 57037214

Frequently Asked Questions

What is the IUPAC name of sodium;azane;hydride;propan-2-yloxymethanedithioic acid?
The IUPAC name of sodium;azane;hydride;propan-2-yloxymethanedithioic acid (CID 174488756) is sodium;azane;hydride;propan-2-yloxymethanedithioic acid.
What is the SMILES notation for sodium;azane;hydride;propan-2-yloxymethanedithioic acid?
The canonical SMILES for sodium;azane;hydride;propan-2-yloxymethanedithioic acid is CC(C)OC(=S)S.N.[H-].[Na+].
What is the InChIKey of sodium;azane;hydride;propan-2-yloxymethanedithioic acid?
The InChIKey is KKKKZUDIBDYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS2.H3N.Na.H/c1-3(2)5-4(6)7;;;/h3H,1-2H3,(H,6,7);1H3;;/q;;+1;-1.
What are the key properties of sodium;azane;hydride;propan-2-yloxymethanedithioic acid?
sodium;azane;hydride;propan-2-yloxymethanedithioic acid has a molecular weight of 177.27 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;hydride;propan-2-yloxymethanedithioic acid is sourced from PubChem (CID 174488756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).