S-(5-methylpyrazol-1-yl)thiohydroxylamine

C4H7N3S — CID 87740272

IUPACS-(5-methylpyrazol-1-yl)thiohydroxylamine
SMILESCc1ccnn1SN
InChIInChI=1S/C4H7N3S/c1-4-2-3-6-7(4)8-5/h2-3H,5H2,1H3
InChIKeyJCYNMIOFDZLCSZ-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.56
Rot. Bonds1

About S-(5-methylpyrazol-1-yl)thiohydroxylamine

S-(5-methylpyrazol-1-yl)thiohydroxylamine (PubChem CID 87740272) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is S-(5-methylpyrazol-1-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-methylpyrazol-1-yl)thiohydroxylamine
PubChem CID87740272
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameS-(5-methylpyrazol-1-yl)thiohydroxylamine
SMILESCc1ccnn1SN
InChIInChI=1S/C4H7N3S/c1-4-2-3-6-7(4)8-5/h2-3H,5H2,1H3
InChIKeyJCYNMIOFDZLCSZ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
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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Related Compounds

1-fluoro-5-methylpyrazole
CID 123447969
2-methyl-2-(5-methylpyrazol-1-yl)propan-1-amine
CID 84731299
butane;1,5-dimethylpyrazole;ethane
CID 142280941
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
5-methylpyrazole-1-carboxylic acid
CID 67484310
(Z)-(2-methylsulfanylpyridazin-3-ylidene)hydrazine
CID 172940386
1-methylsulfanyl-5-propan-2-ylpyrazole
CID 170060430
1-(2,2-dimethylpropyl)-5-methylpyrazole
CID 11858722
(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propan-1-amine
CID 42552286
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
5-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 174605687
3-(5-methylpyrazol-1-yl)aniline
CID 43154912

Frequently Asked Questions

What is the IUPAC name of S-(5-methylpyrazol-1-yl)thiohydroxylamine?
The IUPAC name of S-(5-methylpyrazol-1-yl)thiohydroxylamine (CID 87740272) is S-(5-methylpyrazol-1-yl)thiohydroxylamine.
What is the SMILES notation for S-(5-methylpyrazol-1-yl)thiohydroxylamine?
The canonical SMILES for S-(5-methylpyrazol-1-yl)thiohydroxylamine is Cc1ccnn1SN.
What is the InChIKey of S-(5-methylpyrazol-1-yl)thiohydroxylamine?
The InChIKey is JCYNMIOFDZLCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-4-2-3-6-7(4)8-5/h2-3H,5H2,1H3.
What are the key properties of S-(5-methylpyrazol-1-yl)thiohydroxylamine?
S-(5-methylpyrazol-1-yl)thiohydroxylamine has a molecular weight of 129.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(5-methylpyrazol-1-yl)thiohydroxylamine is sourced from PubChem (CID 87740272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).