1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione

C4H9N5S — CID 65440082

IUPAC1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione
SMILESCNCCn1[nH]nnc1=S
InChIInChI=1S/C4H9N5S/c1-5-2-3-9-4(10)6-7-8-9/h5H,2-3H2,1H3,(H,6,8,10)
InChIKeyFZJXCRUZPZOFNK-UHFFFAOYSA-N
MW159.22 g/mol
LogP-0.44
Rot. Bonds3

About 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione

1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione (PubChem CID 65440082) has the molecular formula C4H9N5S and a molecular weight of 159.22 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione
PubChem CID65440082
Molecular FormulaC4H9N5S
Molecular Weight159.22 g/mol
Exact Mass159.06
IUPAC Name1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione
SMILESCNCCn1[nH]nnc1=S
InChIInChI=1S/C4H9N5S/c1-5-2-3-9-4(10)6-7-8-9/h5H,2-3H2,1H3,(H,6,8,10)
InChIKeyFZJXCRUZPZOFNK-UHFFFAOYSA-N
XLogP-0.44
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(Diethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051277
1-(2-Aminoethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 13135749
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
1-(2-aminoethyl)-1H-tetrazole-5-thiol hydrochloride
CID 19918068
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium chloride
CID 20086030
1-Aminoethyl-5-mercaptotetrazole hydrochloride
CID 20380201
1-(1-aminoethyl)-2H-tetrazole-5-thione;hydrobromide
CID 20380208
1-[2-[ethyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
CID 20816741
1-(2-dimethylaminoethyl)-5-mercapto-1H-tetrazole hydrochloride
CID 22152582
1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
CID 22161533
1-(aminomethyl)ethyl-1H-tetrazole-5-thiol hydrochloride
CID 23324133

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione (CID 65440082) is 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione is CNCCn1[nH]nnc1=S.
What is the InChIKey of 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione?
The InChIKey is FZJXCRUZPZOFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S/c1-5-2-3-9-4(10)6-7-8-9/h5H,2-3H2,1H3,(H,6,8,10).
What are the key properties of 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione?
1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione has a molecular weight of 159.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 65440082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).