1-tert-butyl-3-(hydroxymethyl)pyridine-2(1H)-thione

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Basic information

CAS: 887573-15-1
Standard SMILES: CC(C)(C)n1cccc(CO)c1=S
InChIKey: UXEDNTNCXOKRQY-UHFFFAOYSA-N
Molecular formula: C10H15NOS
Average molar mass: 197.3 g/mol
Monoisotopic mass: 197.08743528

Names & identifiers

Preferred name: 1-tert-butyl-3-(hydroxymethyl)pyridine-2(1H)-thione
IUPAC: 1-tert-butyl-3-(hydroxymethyl)pyridine-2-thione

Names & synonyms

887573-15-11-tert-butyl-3-(hydroxymethyl)pyridine-2(1H)-thione1-tert-butyl-3-(hydroxymethyl)pyridine-2-thione1-tert-butyl-3-(hydroxymethyl)-1,2-dihydropyridine-2-thione1-(1,1-Dimethylethyl)-3-(hydroxymethyl)-2(1H)-pyridinethione1-(tert-Butyl)-3-(hydroxymethyl)pyridine-2(1H)-thioneDTXSID001184144SBB092193AKOS006278629AE-411/41415626[1-(tert-butyl)-2-thioxo-3-hydropyridyl]methan-1-ol

Database identifiers

CAS: 887573-15-1
PubChem CID: 817892
DTXSID: DTXSID001184144

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 273

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Compound notes

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