1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride

C4H10ClN5S — CID 23324133

IUPAC1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride
SMILESCC(CN)n1[nH]nnc1=S.Cl
InChIInChI=1S/C4H9N5S.ClH/c1-3(2-5)9-4(10)6-7-8-9;/h3H,2,5H2,1H3,(H,6,8,10);1H
InChIKeySDUIFRJHBGTSAQ-UHFFFAOYSA-N
MW195.68 g/mol
LogP0.28
Rot. Bonds2

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

1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride (PubChem CID 23324133) has the molecular formula C4H10ClN5S and a molecular weight of 195.68 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride
PubChem CID23324133
Molecular FormulaC4H10ClN5S
Molecular Weight195.68 g/mol
Exact Mass195.03
IUPAC Name1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride
SMILESCC(CN)n1[nH]nnc1=S.Cl
InChIInChI=1S/C4H9N5S.ClH/c1-3(2-5)9-4(10)6-7-8-9;/h3H,2,5H2,1H3,(H,6,8,10);1H
InChIKeySDUIFRJHBGTSAQ-UHFFFAOYSA-N
XLogP0.28
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.68
LogP ≤ 50.28
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-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride?
The IUPAC name of 1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride (CID 23324133) is 1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride?
The canonical SMILES for 1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride is CC(CN)n1[nH]nnc1=S.Cl.
What is the InChIKey of 1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride?
The InChIKey is SDUIFRJHBGTSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S.ClH/c1-3(2-5)9-4(10)6-7-8-9;/h3H,2,5H2,1H3,(H,6,8,10);1H.
What are the key properties of 1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride?
1-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride has a molecular weight of 195.68 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-(1-aminopropan-2-yl)-2H-tetrazole-5-thione;hydrochloride is sourced from PubChem (CID 23324133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).