pyrazolidine-4-thiol

C3H8N2S — CID 19939944

IUPACpyrazolidine-4-thiol
SMILESSC1CNNC1
InChIInChI=1S/C3H8N2S/c6-3-1-4-5-2-3/h3-6H,1-2H2
InChIKeyYQVZBINVXFLJQV-UHFFFAOYSA-N
MW104.18 g/mol
LogP-0.61
Rot. Bonds

About pyrazolidine-4-thiol

pyrazolidine-4-thiol (PubChem CID 19939944) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is pyrazolidine-4-thiol.

Molecular Properties

Compound Namepyrazolidine-4-thiol
PubChem CID19939944
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Namepyrazolidine-4-thiol
SMILESSC1CNNC1
InChIInChI=1S/C3H8N2S/c6-3-1-4-5-2-3/h3-6H,1-2H2
InChIKeyYQVZBINVXFLJQV-UHFFFAOYSA-N
XLogP-0.61
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 pyrazolidine-4-thiol?
The IUPAC name of pyrazolidine-4-thiol (CID 19939944) is pyrazolidine-4-thiol.
What is the SMILES notation for pyrazolidine-4-thiol?
The canonical SMILES for pyrazolidine-4-thiol is SC1CNNC1.
What is the InChIKey of pyrazolidine-4-thiol?
The InChIKey is YQVZBINVXFLJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c6-3-1-4-5-2-3/h3-6H,1-2H2.
What are the key properties of pyrazolidine-4-thiol?
pyrazolidine-4-thiol has a molecular weight of 104.18 g/mol, XLogP of -0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolidine-4-thiol is sourced from PubChem (CID 19939944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).