2-(1,3-benzothiazol-2-ylsulfanyl)ethanol hydrate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol hydrate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol hydrate CAS Name: 2-(1,3-benzothiazol-2-ylthio)ethanol hydrate IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol hydrate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)ethanol hydrate Formula: C9H11NO2S2 MolecularWeight: 229.31914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCO.O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCO.O

InChI

InChI=1S/C9H9NOS2.H2O/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9;/h1-4,11H,5-6H2;1H2