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Chemical structure of 2-Thiothinone hydrochloride

GC42196

2-Thiothinone hydrochloride

Also listed as 2-Thiothinone (hydrochloride)

2-Thiothinone is an analog of methcathinone in which the phenyl group is replaced with a thiophene group

ChemicalCAS54817-67-3MW205.7FormulaC8H11NOS•HCl
CAS number
54817-67-3
Molecular weight
205.7
Formula
C8H11NOS•HCl
Solubility
DMF： 15 mg/ml,DMSO： 15 mg/ml,Ethanol： 10 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
BIZHFBWZOILAFK-UHFFFAOYSA-N
Catalogue number
GC42196
Brand
GLPBIO
Computed properties PubChem CID 12198618 · TPSA 57.3 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
57.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

SMILES CC(C(=O)C1=CC=CS1)NC.Cl

Computed descriptors from PubChem (CID 12198618), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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