pyrrolidine-1-carbothiohydrazide

C5H11N3S — CID 6421109

IUPACpyrrolidine-1-carbothiohydrazide
SMILESNNC(=S)N1CCCC1
InChIInChI=1S/C5H11N3S/c6-7-5(9)8-3-1-2-4-8/h1-4,6H2,(H,7,9)
InChIKeyBSKNGWCVWMWZQL-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.17
Rot. Bonds

About pyrrolidine-1-carbothiohydrazide

pyrrolidine-1-carbothiohydrazide (PubChem CID 6421109) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is pyrrolidine-1-carbothiohydrazide.

Molecular Properties

Compound Namepyrrolidine-1-carbothiohydrazide
PubChem CID6421109
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Namepyrrolidine-1-carbothiohydrazide
SMILESNNC(=S)N1CCCC1
InChIInChI=1S/C5H11N3S/c6-7-5(9)8-3-1-2-4-8/h1-4,6H2,(H,7,9)
InChIKeyBSKNGWCVWMWZQL-UHFFFAOYSA-N
XLogP-0.17
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-1-carbothiohydrazide?
The IUPAC name of pyrrolidine-1-carbothiohydrazide (CID 6421109) is pyrrolidine-1-carbothiohydrazide.
What is the SMILES notation for pyrrolidine-1-carbothiohydrazide?
The canonical SMILES for pyrrolidine-1-carbothiohydrazide is NNC(=S)N1CCCC1.
What is the InChIKey of pyrrolidine-1-carbothiohydrazide?
The InChIKey is BSKNGWCVWMWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c6-7-5(9)8-3-1-2-4-8/h1-4,6H2,(H,7,9).
What are the key properties of pyrrolidine-1-carbothiohydrazide?
pyrrolidine-1-carbothiohydrazide has a molecular weight of 145.23 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-carbothiohydrazide is sourced from PubChem (CID 6421109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).