| CAS Number | 1193387-89-1 |
| Catalog Number | AG019WI3(AGN-PC-0WO1CN) |
| Chemical Name | 2-[2-(propan-2-yl)-1,3-thiazol-4-yl]acetonitrile |
| IUPAC Name | 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetonitrile |
| InChI | InChI=1S/C8H10N2S/c1-6(2)8-10-7(3-4-9)5-11-8/h5-6H,3H2,1-2H3 |
| InChI Key | WSXLBWKWELAHJD-UHFFFAOYSA-N |
| MDL Number | MFCD12913053 |
| Molecular Formula | C8H10N2S |
| Molecular Weight | 166.2434 |
| SMILES | CC(C1SC=C(CC#N)N=1)C |
| Synonyms | 2-[2-(propan-2-yl)-1,3-thiazol-4-yl]acetonitrile,
1193387-89-1,
AC1Q1OWV,
CTK6A6248,
ZINC36379831,
AKOS010287529,
NE24577,
EN300-52052,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.242g/mol |
| Monoisotopic Mass | 166.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number