triazolidine-4-thiol

C2H7N3S — CID 166843947

IUPACtriazolidine-4-thiol
SMILESSC1CNNN1
InChIInChI=1S/C2H7N3S/c6-2-1-3-5-4-2/h2-6H,1H2
InChIKeyOTEXXDYNCJUUQN-UHFFFAOYSA-N
MW105.17 g/mol
LogP-1.15
Rot. Bonds

About triazolidine-4-thiol

triazolidine-4-thiol (PubChem CID 166843947) has the molecular formula C2H7N3S and a molecular weight of 105.17 g/mol. Its IUPAC name is triazolidine-4-thiol.

Molecular Properties

Compound Nametriazolidine-4-thiol
PubChem CID166843947
Molecular FormulaC2H7N3S
Molecular Weight105.17 g/mol
Exact Mass105.04
IUPAC Nametriazolidine-4-thiol
SMILESSC1CNNN1
InChIInChI=1S/C2H7N3S/c6-2-1-3-5-4-2/h2-6H,1H2
InChIKeyOTEXXDYNCJUUQN-UHFFFAOYSA-N
XLogP-1.15
TPSA36.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triazolidine-4-thiol?
The IUPAC name of triazolidine-4-thiol (CID 166843947) is triazolidine-4-thiol.
What is the SMILES notation for triazolidine-4-thiol?
The canonical SMILES for triazolidine-4-thiol is SC1CNNN1.
What is the InChIKey of triazolidine-4-thiol?
The InChIKey is OTEXXDYNCJUUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3S/c6-2-1-3-5-4-2/h2-6H,1H2.
What are the key properties of triazolidine-4-thiol?
triazolidine-4-thiol has a molecular weight of 105.17 g/mol, XLogP of -1.15, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazolidine-4-thiol is sourced from PubChem (CID 166843947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).