| CAS Number | 1215618-08-8 |
| Catalog Number | AG01BU8L(AGN-PC-0WCBKT) |
| Chemical Name | 2-Methyl-4H,5H,6H-cyclopenta[d][1,3]thiazole |
| IUPAC Name | 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole |
| InChI | InChI=1S/C7H9NS/c1-5-8-6-3-2-4-7(6)9-5/h2-4H2,1H3 |
| InChI Key | LSNDXQUTOCWCJT-UHFFFAOYSA-N |
| MDL Number | MFCD12827906 |
| Molecular Formula | C7H9NS |
| Molecular Weight | 139.2181 |
| SMILES | CC1SC2=C(CCC2)N=1 |
| Synonyms | 1215618-08-8,
2-Methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole,
2-methyl-4H,5H,6H-cyclopenta[d][1,3]thiazole,
SCHEMBL2666128,
CTK6C5868,
KS-00003SXJ,
SBB056334,
ZINC40448251,
AKOS026675712,
TS-01812,
2-methyl-4,5,6-trihydrocyclopenta[1,2-d]1,3-thiazole,
Z2768769347,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.216g/mol |
| Monoisotopic Mass | 139.046g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number