azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione

C5H14N6S — CID 173387119

IUPACazane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione
SMILESCN(C)CCn1[nH]nnc1=S.N
InChIInChI=1S/C5H11N5S.H3N/c1-9(2)3-4-10-5(11)6-7-8-10;/h3-4H2,1-2H3,(H,6,8,11);1H3
InChIKeyFWFPZIBKXOTIRV-UHFFFAOYSA-N
MW190.28 g/mol
LogP0.06
Rot. Bonds3

About azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione

azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione (PubChem CID 173387119) has the molecular formula C5H14N6S and a molecular weight of 190.28 g/mol. Its IUPAC name is azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Nameazane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione
PubChem CID173387119
Molecular FormulaC5H14N6S
Molecular Weight190.28 g/mol
Exact Mass190.10
IUPAC Nameazane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione
SMILESCN(C)CCn1[nH]nnc1=S.N
InChIInChI=1S/C5H11N5S.H3N/c1-9(2)3-4-10-5(11)6-7-8-10;/h3-4H2,1-2H3,(H,6,8,11);1H3
InChIKeyFWFPZIBKXOTIRV-UHFFFAOYSA-N
XLogP0.06
TPSA84.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 3017268
1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione
CID 3034248
1-[2-(Diethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051277
1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione
CID 12802959
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
CID 18317168
1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 18341691
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
1-[3-(Dimethylamino)propyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 19868956
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium chloride
CID 20086030
1-Amino-3-methylimidazolidine-2-thione
CID 20622949

Frequently Asked Questions

What is the IUPAC name of azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione (CID 173387119) is azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione is CN(C)CCn1[nH]nnc1=S.N.
What is the InChIKey of azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
The InChIKey is FWFPZIBKXOTIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S.H3N/c1-9(2)3-4-10-5(11)6-7-8-10;/h3-4H2,1-2H3,(H,6,8,11);1H3.
What are the key properties of azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione has a molecular weight of 190.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 173387119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).