2-METHYLBENZOTHIAZOLE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7LX1XE6H8W
EPA CompTox DTXSID8049208

Structure

InChI Key DXYYSGDWQCSKKO-UHFFFAOYSA-N
Smiles CC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7N1S1
Molecular Weight 149.03
AlogP 2.6
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 120-75-2
NORMAN SUSDAT
FDA SRS 7LX1XE6H8W
PubChem 8446
ChemSpider 8138.0
CONTENTS