| CAS Number | 83726-83-4 |
| Catalog Number | AG01C3A8 |
| Chemical Name | 4-chloro-6-methyl-2-(thiophen-2-yl)pyrimidine |
| IUPAC Name | 4-chloro-6-methyl-2-thiophen-2-ylpyrimidine |
| InChI | InChI=1S/C9H7ClN2S/c1-6-5-8(10)12-9(11-6)7-3-2-4-13-7/h2-5H,1H3 |
| InChI Key | RNVXWNIXLBPUFO-UHFFFAOYSA-N |
| MDL Number | MFCD12032996 |
| Molecular Formula | C9H7ClN2S |
| Molecular Weight | 210.6833 |
| SMILES | CC1=NC(C2SC=CC=2)=NC(Cl)=C1 |
| Synonyms | 83726-83-4,
4-CHLORO-6-METHYL-2-(THIOPHEN-2-YL)PYRIMIDINE,
ZINC37409128,
AKOS009579155,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.679g/mol |
| Monoisotopic Mass | 210.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number