| CAS Number | 914935-72-1 |
| Catalog Number | AG01A6O2(AGN-PC-0WO6JR) |
| Chemical Name | 2-Iodo-5-methyl-1,3,4-thiadiazole |
| IUPAC Name | 2-iodo-5-methyl-1,3,4-thiadiazole |
| InChI | InChI=1S/C3H3IN2S/c1-2-5-6-3(4)7-2/h1H3 |
| InChI Key | KSFINKNHAUQFRT-UHFFFAOYSA-N |
| MDL Number | MFCD18345317 |
| Molecular Formula | C3H3IN2S |
| Molecular Weight | 226.0388 |
| SMILES | CC1SC(I)=NN=1 |
| Synonyms | 2-iodo-5-methyl-1,3,4-thiadiazole,
914935-72-1,
SCHEMBL5136319,
STL434050,
ZINC78496508,
AKOS012690414,
NE28890,
|
| Complexity | 70 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.906g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.035g/mol |
| Monoisotopic Mass | 225.906g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number