1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione

C6H14N5S+ — CID 59950418

IUPAC1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
SMILESCN(C)CCn1[nH][n+](C)nc1=S
InChIInChI=1S/C6H13N5S/c1-9(2)4-5-11-6(12)7-10(3)8-11/h4-5H2,1-3H3/p+1
InChIKeyAIKMGZLDEQJGBV-UHFFFAOYSA-O
MW188.28 g/mol
LogP-0.67
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione

1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione (PubChem CID 59950418) has the molecular formula C6H14N5S+ and a molecular weight of 188.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
PubChem CID59950418
Molecular FormulaC6H14N5S+
Molecular Weight188.28 g/mol
Exact Mass188.10
IUPAC Name1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
SMILESCN(C)CCn1[nH][n+](C)nc1=S
InChIInChI=1S/C6H13N5S/c1-9(2)4-5-11-6(12)7-10(3)8-11/h4-5H2,1-3H3/p+1
InChIKeyAIKMGZLDEQJGBV-UHFFFAOYSA-O
XLogP-0.67
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'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 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione (CID 59950418) is 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione is CN(C)CCn1[nH][n+](C)nc1=S.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione?
The InChIKey is AIKMGZLDEQJGBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N5S/c1-9(2)4-5-11-6(12)7-10(3)8-11/h4-5H2,1-3H3/p+1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione?
1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione has a molecular weight of 188.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione is sourced from PubChem (CID 59950418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).