sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride

C3H8N5NaS — CID 173411474

IUPACsodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride
SMILESCCNn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C3H7N5S.Na.H/c1-2-4-8-3(9)5-6-7-8;;/h4H,2H2,1H3,(H,5,7,9);;/q;+1;-1
InChIKeyKGNUXEINJYWBEL-UHFFFAOYSA-N
MW169.19 g/mol
LogP-2.98
Rot. Bonds2

About sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride

sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride (PubChem CID 173411474) has the molecular formula C3H8N5NaS and a molecular weight of 169.19 g/mol. Its IUPAC name is sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride.

Molecular Properties

Compound Namesodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride
PubChem CID173411474
Molecular FormulaC3H8N5NaS
Molecular Weight169.19 g/mol
Exact Mass169.04
IUPAC Namesodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride
SMILESCCNn1[nH]nnc1=S.[H-].[Na+]
InChIInChI=1S/C3H7N5S.Na.H/c1-2-4-8-3(9)5-6-7-8;;/h4H,2H2,1H3,(H,5,7,9);;/q;+1;-1
InChIKeyKGNUXEINJYWBEL-UHFFFAOYSA-N
XLogP-2.98
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-2.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride?
The IUPAC name of sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride (CID 173411474) is sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride.
What is the SMILES notation for sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride?
The canonical SMILES for sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride is CCNn1[nH]nnc1=S.[H-].[Na+].
What is the InChIKey of sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride?
The InChIKey is KGNUXEINJYWBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5S.Na.H/c1-2-4-8-3(9)5-6-7-8;;/h4H,2H2,1H3,(H,5,7,9);;/q;+1;-1.
What are the key properties of sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride?
sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride has a molecular weight of 169.19 g/mol, XLogP of -2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(ethylamino)-2H-tetrazole-5-thione;hydride is sourced from PubChem (CID 173411474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).