| CAS Number | 1820651-41-9 |
| Catalog Number | AG00I0PM |
| Chemical Name | 7-Chloro-[1,3]thiazolo[4,5-d]pyrimidine-2-thiol |
| IUPAC Name | 7-chloro-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione |
| InChI | InChI=1S/C5H2ClN3S2/c6-3-2-4(8-1-7-3)9-5(10)11-2/h1H,(H,7,8,9,10) |
| InChI Key | JEEZEVISECGTRZ-UHFFFAOYSA-N |
| MDL Number | MFCD25953917 |
| Molecular Formula | C5H2ClN3S2 |
| Molecular Weight | 203.6725 |
| SMILES | Sc1nc2c(s1)c(Cl)ncn2 |
| Synonyms | 7-Chloro-[1,3]thiazolo[4,5-d]pyrimidine-2-thiol,
1820651-41-9,
7-Chlorothiazolo[4,5-d]pyrimidine-2-thiol,
C5H2ClN3S2,
ZINC95495987,
AKOS027372914,
Y2888,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.662g/mol |
| Monoisotopic Mass | 202.938g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number