| CAS Number | 941041-83-4 |
| Catalog Number | AG019KK9(AGN-PC-0WOTQB) |
| Chemical Name | [2-(Dimethylamino)-1,3-thiazol-4-yl]acetonitrile |
| IUPAC Name | 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile |
| InChI | InChI=1S/C7H9N3S/c1-10(2)7-9-6(3-4-8)5-11-7/h5H,3H2,1-2H3 |
| InChI Key | BKOZAPBDIGYVCW-UHFFFAOYSA-N |
| MDL Number | MFCD09403619 |
| Molecular Formula | C7H9N3S |
| Molecular Weight | 167.2315 |
| SMILES | CN(C1SC=C(CC#N)N=1)C |
| Synonyms | 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile,
941041-83-4,
[2-(dimethylamino)-1,3-thiazol-4-yl]acetonitrile,
AC1Q3WIT,
CTK8F2418,
ZINC12505441,
AKOS022820949,
MCULE-2597053341,
NE36506,
EN300-27273,
Z235348051,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.23g/mol |
| Monoisotopic Mass | 167.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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