| CAS Number | 1343893-40-2 |
| Catalog Number | AG01DVVQ |
| Chemical Name | (6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol |
| IUPAC Name | (6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol |
| InChI | InChI=1S/C9H13NOS/c1-6-2-3-7-8(4-6)12-9(5-11)10-7/h6,11H,2-5H2,1H3 |
| InChI Key | SWRDANVETWCYJG-UHFFFAOYSA-N |
| MDL Number | MFCD17251216 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | CC1CC2=C(N=C(S2)CO)CC1 |
| Synonyms | (6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol,
1343893-40-2,
AKOS012220277,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.269g/mol |
| Monoisotopic Mass | 183.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number