| CAS Number | 1272811-40-1 |
| Catalog Number | AG01A42P |
| Chemical Name | 6-Phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde |
| IUPAC Name | 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde |
| InChI | InChI=1S/C14H13NOS/c16-9-14-15-12-7-6-11(8-13(12)17-14)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2 |
| InChI Key | RUNFJNHZWZROBA-UHFFFAOYSA-N |
| MDL Number | MFCD17408051 |
| Molecular Formula | C14H13NOS |
| Molecular Weight | 243.3241 |
| SMILES | O=CC1SC2=C(CCC(C3=CC=CC=C3)C2)N=1 |
| Synonyms | 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde,
1272811-40-1,
AKOS006169258,
NE49482,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.071785g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.33g/mol |
| Monoisotopic Mass | 243.071785g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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