2-AMMONIO-5-CHLOROTHIAZOLIUM DICHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID20982990

Structure

InChI Key BDODUCHZRFHXHR-UHFFFAOYSA-N
Smiles [Cl-].[Cl-].ClC=1SC(=[NH+]C1)[NH3+]
InChI
InChI=1/C3H3ClN2S.2ClH/c4-2-1-6-3(5)7-2;;/h1H,(H2,5,6);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3ClN2S
Molecular Weight 205.92
AlogP 2.05
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 39.64
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 64415-16-3
NORMAN SUSDAT
PubChem 38942
CONTENTS