Chemical identification
CAS identifier2634-33-5
Pubchem identifier17520
DSSTox identifierDTXSID5032523
IUPAC name1,2-benzothiazol-3-one
Structure1,2-Benzisothiazolin-3-one

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESO=c1[nH]sc2c1cccc2
InChIInChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKeyDMSMPAJRVJJAGA-UHFFFAOYSA-N

Chemical classification
KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiazoles
DISCLAIMER

TICToK is a database of tattoo ink chemicals compiled from different regulatory resources. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on tattoo ink chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.