sodium;hydride;1-octyl-2H-tetrazole-5-thione

C9H19N4NaS — CID 173233563

IUPACsodium;hydride;1-octyl-2H-tetrazole-5-thione
SMILESCCCCCCCCn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C9H18N4S.Na.H/c1-2-3-4-5-6-7-8-13-9(14)10-11-12-13;;/h2-8H2,1H3,(H,10,12,14);;/q;+1;-1
InChIKeyFJMKJTSOPNPARP-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.19
Rot. Bonds7

About sodium;hydride;1-octyl-2H-tetrazole-5-thione

sodium;hydride;1-octyl-2H-tetrazole-5-thione (PubChem CID 173233563) has the molecular formula C9H19N4NaS and a molecular weight of 238.34 g/mol. Its IUPAC name is sodium;hydride;1-octyl-2H-tetrazole-5-thione.

Molecular Properties

Compound Namesodium;hydride;1-octyl-2H-tetrazole-5-thione
PubChem CID173233563
Molecular FormulaC9H19N4NaS
Molecular Weight238.34 g/mol
Exact Mass238.12
IUPAC Namesodium;hydride;1-octyl-2H-tetrazole-5-thione
SMILESCCCCCCCCn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C9H18N4S.Na.H/c1-2-3-4-5-6-7-8-13-9(14)10-11-12-13;;/h2-8H2,1H3,(H,10,12,14);;/q;+1;-1
InChIKeyFJMKJTSOPNPARP-UHFFFAOYSA-N
XLogP-0.19
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclooctyl-2H-tetrazole-5-thione
CID 8831773
1-octyl-5-mercapto-1H-tetrazole
CID 18552320
1-Octyl-5-mercaptotetrazolesodiumsalt
CID 69955370
Sodium 4-octyl-5-sulfanylidene-4,5-dihydrotetrazol-1-ide
CID 165359856
1-heptyl-2H-tetrazole-5-thione
CID 12904017
1-Hexyl-1,2-dihydro-5H-tetrazole-5-thione
CID 15765993
1-octadecyl-2H-tetrazole-5-thione
CID 20161127
1-tetradecyl-2H-tetrazole-5-thione
CID 20161128
1-(2-ethylhexyl)-2H-tetrazole-5-thione
CID 20780722
1-decyl-2H-tetrazole-5-thione
CID 21136922
1-Pentyl-1H-tetrazole-5-thiol
CID 21315136
1-hexadecyl-2H-tetrazole-5-thione
CID 21646462

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-octyl-2H-tetrazole-5-thione?
The IUPAC name of sodium;hydride;1-octyl-2H-tetrazole-5-thione (CID 173233563) is sodium;hydride;1-octyl-2H-tetrazole-5-thione.
What is the SMILES notation for sodium;hydride;1-octyl-2H-tetrazole-5-thione?
The canonical SMILES for sodium;hydride;1-octyl-2H-tetrazole-5-thione is CCCCCCCCn1[nH]nnc1=S.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-octyl-2H-tetrazole-5-thione?
The InChIKey is FJMKJTSOPNPARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S.Na.H/c1-2-3-4-5-6-7-8-13-9(14)10-11-12-13;;/h2-8H2,1H3,(H,10,12,14);;/q;+1;-1.
What are the key properties of sodium;hydride;1-octyl-2H-tetrazole-5-thione?
sodium;hydride;1-octyl-2H-tetrazole-5-thione has a molecular weight of 238.34 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-octyl-2H-tetrazole-5-thione is sourced from PubChem (CID 173233563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).