1-(ethylamino)-2H-tetrazole-5-thione

C3H7N5S — CID 13373734

IUPAC1-(ethylamino)-2H-tetrazole-5-thione
SMILESCCNn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S/c1-2-4-8-3(9)5-6-7-8/h4H,2H2,1H3,(H,5,7,9)
InChIKeyVUWTYZRCQOQXSN-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.10
Rot. Bonds2

About 1-(ethylamino)-2H-tetrazole-5-thione

1-(ethylamino)-2H-tetrazole-5-thione (PubChem CID 13373734) has the molecular formula C3H7N5S and a molecular weight of 145.19 g/mol. Its IUPAC name is 1-(ethylamino)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(ethylamino)-2H-tetrazole-5-thione
PubChem CID13373734
Molecular FormulaC3H7N5S
Molecular Weight145.19 g/mol
Exact Mass145.04
IUPAC Name1-(ethylamino)-2H-tetrazole-5-thione
SMILESCCNn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S/c1-2-4-8-3(9)5-6-7-8/h4H,2H2,1H3,(H,5,7,9)
InChIKeyVUWTYZRCQOQXSN-UHFFFAOYSA-N
XLogP-0.10
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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-(ethylamino)-2H-tetrazole-5-thione?
The IUPAC name of 1-(ethylamino)-2H-tetrazole-5-thione (CID 13373734) is 1-(ethylamino)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(ethylamino)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(ethylamino)-2H-tetrazole-5-thione is CCNn1[nH]nnc1=S.
What is the InChIKey of 1-(ethylamino)-2H-tetrazole-5-thione?
The InChIKey is VUWTYZRCQOQXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5S/c1-2-4-8-3(9)5-6-7-8/h4H,2H2,1H3,(H,5,7,9).
What are the key properties of 1-(ethylamino)-2H-tetrazole-5-thione?
1-(ethylamino)-2H-tetrazole-5-thione has a molecular weight of 145.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2H-tetrazole-5-thione is sourced from PubChem (CID 13373734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).