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

C3H7N5S — CID 13135749

IUPAC1-(2-aminoethyl)-2H-tetrazole-5-thione
SMILESNCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S/c4-1-2-8-3(9)5-6-7-8/h1-2,4H2,(H,5,7,9)
InChIKeyBLOOCFVAGVBCEF-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.71
Rot. Bonds2

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

1-(2-aminoethyl)-2H-tetrazole-5-thione (PubChem CID 13135749) has the molecular formula C3H7N5S and a molecular weight of 145.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-aminoethyl)-2H-tetrazole-5-thione
PubChem CID13135749
Molecular FormulaC3H7N5S
Molecular Weight145.19 g/mol
Exact Mass145.04
IUPAC Name1-(2-aminoethyl)-2H-tetrazole-5-thione
SMILESNCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S/c4-1-2-8-3(9)5-6-7-8/h1-2,4H2,(H,5,7,9)
InChIKeyBLOOCFVAGVBCEF-UHFFFAOYSA-N
XLogP-0.71
TPSA72.52 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 ≤ 5-0.71
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-(2-aminoethyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-aminoethyl)-2H-tetrazole-5-thione (CID 13135749) is 1-(2-aminoethyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-aminoethyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-aminoethyl)-2H-tetrazole-5-thione is NCCn1[nH]nnc1=S.
What is the InChIKey of 1-(2-aminoethyl)-2H-tetrazole-5-thione?
The InChIKey is BLOOCFVAGVBCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5S/c4-1-2-8-3(9)5-6-7-8/h1-2,4H2,(H,5,7,9).
What are the key properties of 1-(2-aminoethyl)-2H-tetrazole-5-thione?
1-(2-aminoethyl)-2H-tetrazole-5-thione has a molecular weight of 145.19 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 13135749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).