1-ethyl-4-methyltetrazole-5-thione

C4H8N4S — CID 20646332

IUPAC1-ethyl-4-methyltetrazole-5-thione
SMILESCCn1nnn(C)c1=S
InChIInChI=1S/C4H8N4S/c1-3-8-4(9)7(2)5-6-8/h3H2,1-2H3
InChIKeyQETOASRTFCOHMU-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.37
Rot. Bonds1

About 1-ethyl-4-methyltetrazole-5-thione

1-ethyl-4-methyltetrazole-5-thione (PubChem CID 20646332) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-ethyl-4-methyltetrazole-5-thione.

Molecular Properties

Compound Name1-ethyl-4-methyltetrazole-5-thione
PubChem CID20646332
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name1-ethyl-4-methyltetrazole-5-thione
SMILESCCn1nnn(C)c1=S
InChIInChI=1S/C4H8N4S/c1-3-8-4(9)7(2)5-6-8/h3H2,1-2H3
InChIKeyQETOASRTFCOHMU-UHFFFAOYSA-N
XLogP0.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
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 1-ethyl-4-methyltetrazole-5-thione?
The IUPAC name of 1-ethyl-4-methyltetrazole-5-thione (CID 20646332) is 1-ethyl-4-methyltetrazole-5-thione.
What is the SMILES notation for 1-ethyl-4-methyltetrazole-5-thione?
The canonical SMILES for 1-ethyl-4-methyltetrazole-5-thione is CCn1nnn(C)c1=S.
What is the InChIKey of 1-ethyl-4-methyltetrazole-5-thione?
The InChIKey is QETOASRTFCOHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-3-8-4(9)7(2)5-6-8/h3H2,1-2H3.
What are the key properties of 1-ethyl-4-methyltetrazole-5-thione?
1-ethyl-4-methyltetrazole-5-thione has a molecular weight of 144.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyltetrazole-5-thione is sourced from PubChem (CID 20646332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).