CGD
Summary
Name: | 1,3-benzothiazol-2-ol |
Formula: | C7 H5 N O S |
Formal charge: | 0 |
Formula weight: | 151.186 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1,3-benzothiazol-2-ol |
OpenEye OEToolkits | 2.0.6 | 1,3-benzothiazol-2-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc2c(c1)sc(O)n2 |
InChI | InChI | 1.03 | InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) |
InChIKey | InChI | 1.03 | YEDUAINPPJYDJZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1sc2ccccc2n1 |
SMILES | CACTVS | 3.385 | Oc1sc2ccccc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(s2)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(s2)O |