| CAS Number | 933753-01-6 |
| Catalog Number | AG01E3HA |
| Chemical Name | 4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazole-2-carbaldehyde |
| IUPAC Name | 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-2-carbaldehyde |
| InChI | InChI=1S/C9H11NOS/c11-6-9-10-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2 |
| InChI Key | CLVZYLOEIINUOV-UHFFFAOYSA-N |
| MDL Number | MFCD17251100 |
| Molecular Formula | C9H11NOS |
| Molecular Weight | 181.2547 |
| SMILES | O=CC1SC2=C(CCCCC2)N=1 |
| Synonyms | CHEMCOLLECT KR012280,
AKOS012225106,
4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazole-2-carbaldehyde,
933753-01-6,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.253g/mol |
| Monoisotopic Mass | 181.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number