1-(2-aminoethyl)tetrazolidine-5-thione

C3H9N5S — CID 118463846

IUPAC1-(2-aminoethyl)tetrazolidine-5-thione
SMILESNCCN1NNNC1=S
InChIInChI=1S/C3H9N5S/c4-1-2-8-3(9)5-6-7-8/h6-7H,1-2,4H2,(H,5,9)
InChIKeyZAPGAKKUMMHCSO-UHFFFAOYSA-N
MW147.21 g/mol
LogP-1.94
Rot. Bonds2

About 1-(2-aminoethyl)tetrazolidine-5-thione

1-(2-aminoethyl)tetrazolidine-5-thione (PubChem CID 118463846) has the molecular formula C3H9N5S and a molecular weight of 147.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)tetrazolidine-5-thione.

Molecular Properties

Compound Name1-(2-aminoethyl)tetrazolidine-5-thione
PubChem CID118463846
Molecular FormulaC3H9N5S
Molecular Weight147.21 g/mol
Exact Mass147.06
IUPAC Name1-(2-aminoethyl)tetrazolidine-5-thione
SMILESNCCN1NNNC1=S
InChIInChI=1S/C3H9N5S/c4-1-2-8-3(9)5-6-7-8/h6-7H,1-2,4H2,(H,5,9)
InChIKeyZAPGAKKUMMHCSO-UHFFFAOYSA-N
XLogP-1.94
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)tetrazolidine-5-thione?
The IUPAC name of 1-(2-aminoethyl)tetrazolidine-5-thione (CID 118463846) is 1-(2-aminoethyl)tetrazolidine-5-thione.
What is the SMILES notation for 1-(2-aminoethyl)tetrazolidine-5-thione?
The canonical SMILES for 1-(2-aminoethyl)tetrazolidine-5-thione is NCCN1NNNC1=S.
What is the InChIKey of 1-(2-aminoethyl)tetrazolidine-5-thione?
The InChIKey is ZAPGAKKUMMHCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5S/c4-1-2-8-3(9)5-6-7-8/h6-7H,1-2,4H2,(H,5,9).
What are the key properties of 1-(2-aminoethyl)tetrazolidine-5-thione?
1-(2-aminoethyl)tetrazolidine-5-thione has a molecular weight of 147.21 g/mol, XLogP of -1.94, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)tetrazolidine-5-thione is sourced from PubChem (CID 118463846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).