| CAS Number | 99066-69-0 |
| Catalog Number | AG005T8D(AGN-PC-0033MH) |
| Chemical Name | 5-Phenyl-1,3,4-thiadiazole-2-carbaldehyde |
| IUPAC Name | 5-phenyl-1,3,4-thiadiazole-2-carbaldehyde |
| InChI | InChI=1S/C9H6N2OS/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h1-6H |
| InChI Key | SKGLVVWEUSDARD-UHFFFAOYSA-N |
| MDL Number | MFCD18250345 |
| Molecular Formula | C9H6N2OS |
| Molecular Weight | 190.2217 |
| SMILES | O=CC1SC(C2=CC=CC=C2)=NN=1 |
| Synonyms | 99066-69-0,
5-PHENYL-1,3,4-THIADIAZOLE-2-CARBALDEHYDE,
1,3,4-Thiadiazole-2-carboxaldehyde, 5-phenyl-,
ACMC-20m2ms,
SCHEMBL10972611,
CTK3F1263,
DTXSID70566002,
AKOS030616603,
AB72803,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.22g/mol |
| Monoisotopic Mass | 190.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number