| CAS Number | 1628317-85-0 |
| Catalog Number | AG001TG4(AGN-PC-0WCTDH) |
| Chemical Name | Thieno[2,3-d]pyrimidine, 4-chloro-6-(2,2,2-trifluoroethyl)- |
| IUPAC Name | 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine |
| InChI | InChI=1S/C8H4ClF3N2S/c9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6/h1,3H,2H2 |
| InChI Key | DZSVALSILXNFGI-UHFFFAOYSA-N |
| MDL Number | MFCD28506297 |
| Molecular Formula | C8H4ClF3N2S |
| Molecular Weight | 252.6440 |
| SMILES | ClC=1C2=C(N=CN1)SC(=C2)CC(F)(F)F |
| Synonyms | 4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine,
1628317-85-0,
DZSVALSILXNFGI-UHFFFAOYSA-N,
SCHEMBL16031220,
MFCD28506297,
AKOS027423556,
ZINC225860523,
CS-12869,
SY232265,
CS-0089658,
MFCD28506297 (95%),
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.639g/mol |
| Monoisotopic Mass | 251.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number