2-amino-1-propan-2-yltetrazolidine-5-thione

C4H11N5S — CID 88744227

IUPAC2-amino-1-propan-2-yltetrazolidine-5-thione
SMILESCC(C)N1C(=S)NNN1N
InChIInChI=1S/C4H11N5S/c1-3(2)8-4(10)6-7-9(8)5/h3,7H,5H2,1-2H3,(H,6,10)
InChIKeyXWHZGICMZDBMGG-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.90
Rot. Bonds1

About 2-amino-1-propan-2-yltetrazolidine-5-thione

2-amino-1-propan-2-yltetrazolidine-5-thione (PubChem CID 88744227) has the molecular formula C4H11N5S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-amino-1-propan-2-yltetrazolidine-5-thione.

Molecular Properties

Compound Name2-amino-1-propan-2-yltetrazolidine-5-thione
PubChem CID88744227
Molecular FormulaC4H11N5S
Molecular Weight161.23 g/mol
Exact Mass161.07
IUPAC Name2-amino-1-propan-2-yltetrazolidine-5-thione
SMILESCC(C)N1C(=S)NNN1N
InChIInChI=1S/C4H11N5S/c1-3(2)8-4(10)6-7-9(8)5/h3,7H,5H2,1-2H3,(H,6,10)
InChIKeyXWHZGICMZDBMGG-UHFFFAOYSA-N
XLogP-0.90
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-propan-2-yltetrazolidine-5-thione?
The IUPAC name of 2-amino-1-propan-2-yltetrazolidine-5-thione (CID 88744227) is 2-amino-1-propan-2-yltetrazolidine-5-thione.
What is the SMILES notation for 2-amino-1-propan-2-yltetrazolidine-5-thione?
The canonical SMILES for 2-amino-1-propan-2-yltetrazolidine-5-thione is CC(C)N1C(=S)NNN1N.
What is the InChIKey of 2-amino-1-propan-2-yltetrazolidine-5-thione?
The InChIKey is XWHZGICMZDBMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5S/c1-3(2)8-4(10)6-7-9(8)5/h3,7H,5H2,1-2H3,(H,6,10).
What are the key properties of 2-amino-1-propan-2-yltetrazolidine-5-thione?
2-amino-1-propan-2-yltetrazolidine-5-thione has a molecular weight of 161.23 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-propan-2-yltetrazolidine-5-thione is sourced from PubChem (CID 88744227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).