1-amino-4-ethyltetrazole-5-thione

C3H7N5S — CID 88802403

IUPAC1-amino-4-ethyltetrazole-5-thione
SMILESCCn1nnn(N)c1=S
InChIInChI=1S/C3H7N5S/c1-2-7-3(9)8(4)6-5-7/h2,4H2,1H3
InChIKeyRDFUQTXGLZUFFQ-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.46
Rot. Bonds1

About 1-amino-4-ethyltetrazole-5-thione

1-amino-4-ethyltetrazole-5-thione (PubChem CID 88802403) has the molecular formula C3H7N5S and a molecular weight of 145.19 g/mol. Its IUPAC name is 1-amino-4-ethyltetrazole-5-thione.

Molecular Properties

Compound Name1-amino-4-ethyltetrazole-5-thione
PubChem CID88802403
Molecular FormulaC3H7N5S
Molecular Weight145.19 g/mol
Exact Mass145.04
IUPAC Name1-amino-4-ethyltetrazole-5-thione
SMILESCCn1nnn(N)c1=S
InChIInChI=1S/C3H7N5S/c1-2-7-3(9)8(4)6-5-7/h2,4H2,1H3
InChIKeyRDFUQTXGLZUFFQ-UHFFFAOYSA-N
XLogP-0.46
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-amino-4-ethyltetrazole-5-thione?
The IUPAC name of 1-amino-4-ethyltetrazole-5-thione (CID 88802403) is 1-amino-4-ethyltetrazole-5-thione.
What is the SMILES notation for 1-amino-4-ethyltetrazole-5-thione?
The canonical SMILES for 1-amino-4-ethyltetrazole-5-thione is CCn1nnn(N)c1=S.
What is the InChIKey of 1-amino-4-ethyltetrazole-5-thione?
The InChIKey is RDFUQTXGLZUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5S/c1-2-7-3(9)8(4)6-5-7/h2,4H2,1H3.
What are the key properties of 1-amino-4-ethyltetrazole-5-thione?
1-amino-4-ethyltetrazole-5-thione has a molecular weight of 145.19 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethyltetrazole-5-thione is sourced from PubChem (CID 88802403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).