| CAS Number | 1421509-29-6 |
| Catalog Number | AG01AS2M(AGN-PC-0WCNTU) |
| Chemical Name | 1-(4-Methylbenzo[d]thiazol-2-yl)azetidin-3-ol |
| IUPAC Name | 1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-ol |
| InChI | InChI=1S/C11H12N2OS/c1-7-3-2-4-9-10(7)12-11(15-9)13-5-8(14)6-13/h2-4,8,14H,5-6H2,1H3 |
| InChI Key | SXQLCEWSPTTXBQ-UHFFFAOYSA-N |
| MDL Number | MFCD22587769 |
| Molecular Formula | C11H12N2OS |
| Molecular Weight | 220.2908 |
| SMILES | OC1CN(C1)C2=NC(C(C)=CC=C3)=C3S2 |
| Synonyms | 1-(4-methylbenzo[d]thiazol-2-yl)azetidin-3-ol,
1421509-29-6,
F2145-0960,
ZINC85436304,
AKOS024627641,
MCULE-2793972401,
1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-ol,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.29g/mol |
| Monoisotopic Mass | 220.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number