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

C3H8ClN5S — CID 19918068

IUPAC1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride
SMILESCl.NCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S.ClH/c4-1-2-8-3(9)5-6-7-8;/h1-2,4H2,(H,5,7,9);1H
InChIKeyJBZSZXWPIMXWLG-UHFFFAOYSA-N
MW181.65 g/mol
LogP-0.28
Rot. Bonds2

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

1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride (PubChem CID 19918068) has the molecular formula C3H8ClN5S and a molecular weight of 181.65 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride
PubChem CID19918068
Molecular FormulaC3H8ClN5S
Molecular Weight181.65 g/mol
Exact Mass181.02
IUPAC Name1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride
SMILESCl.NCCn1[nH]nnc1=S
InChIInChI=1S/C3H7N5S.ClH/c4-1-2-8-3(9)5-6-7-8;/h1-2,4H2,(H,5,7,9);1H
InChIKeyJBZSZXWPIMXWLG-UHFFFAOYSA-N
XLogP-0.28
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.65
LogP ≤ 5-0.28
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;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride (CID 19918068) is 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride is Cl.NCCn1[nH]nnc1=S.
What is the InChIKey of 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride?
The InChIKey is JBZSZXWPIMXWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5S.ClH/c4-1-2-8-3(9)5-6-7-8;/h1-2,4H2,(H,5,7,9);1H.
What are the key properties of 1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride?
1-(2-aminoethyl)-2H-tetrazole-5-thione;hydrochloride has a molecular weight of 181.65 g/mol, XLogP of -0.28, 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;hydrochloride is sourced from PubChem (CID 19918068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).