| CAS Number | 1343972-08-6 |
| Catalog Number | AG01A3WA(AGN-PC-0WODLQ) |
| Chemical Name | 6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde |
| IUPAC Name | 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazole-2-carbaldehyde |
| InChI | InChI=1S/C10H13NOS/c1-10(2)4-3-7-8(5-10)13-9(6-12)11-7/h6H,3-5H2,1-2H3 |
| InChI Key | LSYLNLXNKTVDQH-UHFFFAOYSA-N |
| MDL Number | MFCD20320005 |
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.2813 |
| SMILES | CC1(CC2=C(N=C(S2)C=O)CC1)C |
| Synonyms | 6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde,
1343972-08-6,
AKOS013723389,
NE51264,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.28g/mol |
| Monoisotopic Mass | 195.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number