| CAS Number | 50361-91-6 |
| Catalog Number | AG00DO03(AGN-PC-0S84M9) |
| Chemical Name | 2-(1,3-Benzothiazol-2-yl)propan-2-ol |
| IUPAC Name | 2-(1,3-benzothiazol-2-yl)propan-2-ol |
| InChI | InChI=1S/C10H11NOS/c1-10(2,12)9-11-7-5-3-4-6-8(7)13-9/h3-6,12H,1-2H3 |
| InChI Key | FBKGJBUZMQAVRO-UHFFFAOYSA-N |
| MDL Number | MFCD22369937 |
| Molecular Formula | C10H11NOS |
| Molecular Weight | 193.2654 |
| SMILES | C(C)(C)(O)c1nc2c(s1)cccc2 |
| Synonyms | 2-(1,3-benzothiazol-2-yl)propan-2-ol,
2-(benzo[d]thiazol-2-yl)propan-2-ol,
50361-91-6,
SCHEMBL7544923,
FBKGJBUZMQAVRO-UHFFFAOYSA-N,
benzothiazol-2-yl dimethyl carbinol,
ZINC39220665,
AKOS023097445,
MCULE-5674137674,
NE46909,
2-(1-hydroxy-1-methylethyl)benzothiazole,
alpha,alpha-Dimethylbenzothiazole-2-methanol,
2-Benzothiazolemethanol,alpha,alpha-dimethyl-(9CI),
Z1407007419,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.264g/mol |
| Monoisotopic Mass | 193.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number