| CAS Number | 552295-08-6 |
| Catalog Number | AG00DM26(AGN-PC-076Y2B) |
| Chemical Name | 4-Chloro-6-iodo-thieno[2,3-d]pyrimidine |
| IUPAC Name | 4-chloro-6-iodothieno[2,3-d]pyrimidine |
| InChI | InChI=1S/C6H2ClIN2S/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H |
| InChI Key | CIDKBLUFACXVRN-UHFFFAOYSA-N |
| MDL Number | MFCD09746333 |
| Molecular Formula | C6H2ClIN2S |
| Molecular Weight | 296.5159 |
| SMILES | Ic1sc2c(c1)c(Cl)ncn2 |
| Synonyms | 4-chloro-6-iodothieno[2,3-d]pyrimidine,
552295-08-6,
4-chloro-6-iodo-Thieno[2,3-d]pyrimidine,
SCHEMBL6484704,
KS-00000UBX,
CIDKBLUFACXVRN-UHFFFAOYSA-N,
MFCD09746333,
AKOS032944689,
ZINC138326155,
CS-W000109,
6-iodo4-chlorothieno[2,3-d]pyrimidine,
6-iodo-4-chlorothieno[2,3-d]pyrimidine,
AK687612,
DS-20175,
FT-0738388,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.51g/mol |
| Monoisotopic Mass | 295.867g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number