S-(1-methylpyrazol-4-yl)thiohydroxylamine

C4H7N3S — CID 134606246

IUPACS-(1-methylpyrazol-4-yl)thiohydroxylamine
SMILESCn1cc(SN)cn1
InChIInChI=1S/C4H7N3S/c1-7-3-4(8-5)2-6-7/h2-3H,5H2,1H3
InChIKeyJXQACMLDBXLBME-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.39
Rot. Bonds1

About S-(1-methylpyrazol-4-yl)thiohydroxylamine

S-(1-methylpyrazol-4-yl)thiohydroxylamine (PubChem CID 134606246) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is S-(1-methylpyrazol-4-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1-methylpyrazol-4-yl)thiohydroxylamine
PubChem CID134606246
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameS-(1-methylpyrazol-4-yl)thiohydroxylamine
SMILESCn1cc(SN)cn1
InChIInChI=1S/C4H7N3S/c1-7-3-4(8-5)2-6-7/h2-3H,5H2,1H3
InChIKeyJXQACMLDBXLBME-UHFFFAOYSA-N
XLogP0.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-(1-methylpyrazol-4-yl)thiohydroxylamine 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 S-(1-methylpyrazol-4-yl)thiohydroxylamine?
The IUPAC name of S-(1-methylpyrazol-4-yl)thiohydroxylamine (CID 134606246) is S-(1-methylpyrazol-4-yl)thiohydroxylamine.
What is the SMILES notation for S-(1-methylpyrazol-4-yl)thiohydroxylamine?
The canonical SMILES for S-(1-methylpyrazol-4-yl)thiohydroxylamine is Cn1cc(SN)cn1.
What is the InChIKey of S-(1-methylpyrazol-4-yl)thiohydroxylamine?
The InChIKey is JXQACMLDBXLBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-7-3-4(8-5)2-6-7/h2-3H,5H2,1H3.
What are the key properties of S-(1-methylpyrazol-4-yl)thiohydroxylamine?
S-(1-methylpyrazol-4-yl)thiohydroxylamine has a molecular weight of 129.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-methylpyrazol-4-yl)thiohydroxylamine is sourced from PubChem (CID 134606246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).