1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide

HCID 936618

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Basic information

CAS: 944786-86-1
Standard SMILES: Cn1ccc(C(=O)NC(=S)N2CCSCC2)n1
InChIKey: GLCAYVNCQJEFFA-UHFFFAOYSA-N
Molecular formula: C10H14N4OS2
Average molar mass: 270.4 g/mol
Monoisotopic mass: 270.06090343

Names & identifiers

Preferred name: 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
IUPAC: 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide

Names & synonyms

1-Methyl-N-(thiomorpholine-4-carbothioyl)-1H-pyrazole-3-carboxamide1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamideOprea1_872266944786-86-1MLS000332701CHEMBL1452265DTXSID001333563HMS2778A10AKOS003242831SMR0004360111-Methyl-1H-pyrazole-3-carboxylic acid (thiomorpholine-4-carbothioyl)-amide1-methyl-N-(thiomorpholine-4-carbonothioyl)-1H-pyrazole-3-carboxamide

Database identifiers

CAS: 944786-86-1
PubChem CID: 936618
DTXSID: DTXSID001333563
ChEMBL: CHEMBL1452265

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 307

Experimental & physicochemical properties

Solubility38.6 [ug/mL] (The mean of the results at pH 7.4)

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