| CAS Number | 101870-28-4 |
| Catalog Number | AG01A8RR(AGN-PC-0WOCX4) |
| Chemical Name | 6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one |
| IUPAC Name | 6-methyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one |
| InChI | InChI=1S/C8H11NOS/c1-5-2-3-6-7(4-5)11-8(10)9-6/h5H,2-4H2,1H3,(H,9,10) |
| InChI Key | VPMKHVJBRIMNFB-UHFFFAOYSA-N |
| MDL Number | MFCD11632139 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CC1CC2=C(NC(S2)=O)CC1 |
| Synonyms | 6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one,
101870-28-4,
AC1Q2QTX,
AKOS009427525,
NE26783,
EN300-62397,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.242g/mol |
| Monoisotopic Mass | 169.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number