2-hydrazinylpropane-1-thiol

C3H10N2S — CID 12731764

IUPAC2-hydrazinylpropane-1-thiol
SMILESCC(CS)NN
InChIInChI=1S/C3H10N2S/c1-3(2-6)5-4/h3,5-6H,2,4H2,1H3
InChIKeyAXCHRGRIFJMMPF-UHFFFAOYSA-N
MW106.19 g/mol
LogP-0.23
Rot. Bonds2

About 2-hydrazinylpropane-1-thiol

2-hydrazinylpropane-1-thiol (PubChem CID 12731764) has the molecular formula C3H10N2S and a molecular weight of 106.19 g/mol. Its IUPAC name is 2-hydrazinylpropane-1-thiol.

Molecular Properties

Compound Name2-hydrazinylpropane-1-thiol
PubChem CID12731764
Molecular FormulaC3H10N2S
Molecular Weight106.19 g/mol
Exact Mass106.06
IUPAC Name2-hydrazinylpropane-1-thiol
SMILESCC(CS)NN
InChIInChI=1S/C3H10N2S/c1-3(2-6)5-4/h3,5-6H,2,4H2,1H3
InChIKeyAXCHRGRIFJMMPF-UHFFFAOYSA-N
XLogP-0.23
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-hydrazinylpropane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylpropane-1-thiol?
The IUPAC name of 2-hydrazinylpropane-1-thiol (CID 12731764) is 2-hydrazinylpropane-1-thiol.
What is the SMILES notation for 2-hydrazinylpropane-1-thiol?
The canonical SMILES for 2-hydrazinylpropane-1-thiol is CC(CS)NN.
What is the InChIKey of 2-hydrazinylpropane-1-thiol?
The InChIKey is AXCHRGRIFJMMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2S/c1-3(2-6)5-4/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-hydrazinylpropane-1-thiol?
2-hydrazinylpropane-1-thiol has a molecular weight of 106.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylpropane-1-thiol is sourced from PubChem (CID 12731764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).