Summary
Name: | BENZOTHIAZOLE |
Formula: | C7 H5 N S |
Formal charge: | 0 |
Formula weight: | 135.186 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1,3-benzothiazole |
OpenEye OEToolkits | 1.5.0 | 1,3-benzothiazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c2ccccc2sc1 |
InChI | InChI | 1.02b | InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
InChIKey | InChI | 1.02b | IOJUPLGTWVMSFF-UHFFFAOYAC |
SMILES_CANONICAL | CACTVS | 3.341 | s1cnc2ccccc12 |
SMILES | CACTVS | 3.341 | s1cnc2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncs2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncs2 |