S-(1H-pyrazol-5-yl)thiohydroxylamine

C3H5N3S — CID 87493160

IUPACS-(1H-pyrazol-5-yl)thiohydroxylamine
SMILESNSc1ccn[nH]1
InChIInChI=1S/C3H5N3S/c4-7-3-1-2-5-6-3/h1-2H,4H2,(H,5,6)
InChIKeyFKWYVTBQNKHOIW-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.38
Rot. Bonds1

About S-(1H-pyrazol-5-yl)thiohydroxylamine

S-(1H-pyrazol-5-yl)thiohydroxylamine (PubChem CID 87493160) has the molecular formula C3H5N3S and a molecular weight of 115.16 g/mol. Its IUPAC name is S-(1H-pyrazol-5-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1H-pyrazol-5-yl)thiohydroxylamine
PubChem CID87493160
Molecular FormulaC3H5N3S
Molecular Weight115.16 g/mol
Exact Mass115.02
IUPAC NameS-(1H-pyrazol-5-yl)thiohydroxylamine
SMILESNSc1ccn[nH]1
InChIInChI=1S/C3H5N3S/c4-7-3-1-2-5-6-3/h1-2H,4H2,(H,5,6)
InChIKeyFKWYVTBQNKHOIW-UHFFFAOYSA-N
XLogP0.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1H-pyrazol-5-yl)thiohydroxylamine?
The IUPAC name of S-(1H-pyrazol-5-yl)thiohydroxylamine (CID 87493160) is S-(1H-pyrazol-5-yl)thiohydroxylamine.
What is the SMILES notation for S-(1H-pyrazol-5-yl)thiohydroxylamine?
The canonical SMILES for S-(1H-pyrazol-5-yl)thiohydroxylamine is NSc1ccn[nH]1.
What is the InChIKey of S-(1H-pyrazol-5-yl)thiohydroxylamine?
The InChIKey is FKWYVTBQNKHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S/c4-7-3-1-2-5-6-3/h1-2H,4H2,(H,5,6).
What are the key properties of S-(1H-pyrazol-5-yl)thiohydroxylamine?
S-(1H-pyrazol-5-yl)thiohydroxylamine has a molecular weight of 115.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1H-pyrazol-5-yl)thiohydroxylamine is sourced from PubChem (CID 87493160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).