| CAS Number | 848356-68-3 |
| Catalog Number | AG01A1KS(AGN-PC-0OJDG2) |
| Chemical Name | 3-iodo-1H-thieno[3,2-c]pyrazole |
| IUPAC Name | 3-iodo-2H-thieno[3,2-c]pyrazole |
| InChI | InChI=1S/C5H3IN2S/c6-5-4-3(7-8-5)1-2-9-4/h1-2H,(H,7,8) |
| InChI Key | VEEHPGKXSQJZSB-UHFFFAOYSA-N |
| MDL Number | MFCD16658304 |
| Molecular Formula | C5H3IN2S |
| Molecular Weight | 250.0602 |
| SMILES | IC1C2=C(C=CS2)NN=1 |
| Synonyms | 3-iodo-1H-thieno[3,2-c]pyrazole,
848356-68-3,
SCHEMBL1623470,
VEEHPGKXSQJZSB-UHFFFAOYSA-N,
ZINC82164193,
AKOS026699847,
1H-Thieno[3,2-c]pyrazole, 3-iodo-,
NE42194,
F8881-1458,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.90617g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.06g/mol |
| Monoisotopic Mass | 249.90617g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number