S-pyrazol-1-ylthiohydroxylamine

C3H5N3S — CID 19959634

IUPACS-pyrazol-1-ylthiohydroxylamine
SMILESNSn1cccn1
InChIInChI=1S/C3H5N3S/c4-7-6-3-1-2-5-6/h1-3H,4H2
InChIKeyYIGHKJJFYXTSGV-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.25
Rot. Bonds1

About S-pyrazol-1-ylthiohydroxylamine

S-pyrazol-1-ylthiohydroxylamine (PubChem CID 19959634) has the molecular formula C3H5N3S and a molecular weight of 115.16 g/mol. Its IUPAC name is S-pyrazol-1-ylthiohydroxylamine.

Molecular Properties

Compound NameS-pyrazol-1-ylthiohydroxylamine
PubChem CID19959634
Molecular FormulaC3H5N3S
Molecular Weight115.16 g/mol
Exact Mass115.02
IUPAC NameS-pyrazol-1-ylthiohydroxylamine
SMILESNSn1cccn1
InChIInChI=1S/C3H5N3S/c4-7-6-3-1-2-5-6/h1-3H,4H2
InChIKeyYIGHKJJFYXTSGV-UHFFFAOYSA-N
XLogP0.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-pyrazol-1-ylthiohydroxylamine?
The IUPAC name of S-pyrazol-1-ylthiohydroxylamine (CID 19959634) is S-pyrazol-1-ylthiohydroxylamine.
What is the SMILES notation for S-pyrazol-1-ylthiohydroxylamine?
The canonical SMILES for S-pyrazol-1-ylthiohydroxylamine is NSn1cccn1.
What is the InChIKey of S-pyrazol-1-ylthiohydroxylamine?
The InChIKey is YIGHKJJFYXTSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S/c4-7-6-3-1-2-5-6/h1-3H,4H2.
What are the key properties of S-pyrazol-1-ylthiohydroxylamine?
S-pyrazol-1-ylthiohydroxylamine has a molecular weight of 115.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-pyrazol-1-ylthiohydroxylamine is sourced from PubChem (CID 19959634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).