| CAS Number | 1782220-95-4 |
| Catalog Number | AG00HZSP |
| Chemical Name | 4-(4-Bromophenyl)-1,2,3-thiadiazol-5-amine |
| IUPAC Name | 4-(4-bromophenyl)thiadiazol-5-amine |
| InChI | InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-8(10)13-12-11-7/h1-4H,10H2 |
| InChI Key | WKBLQGVCVRZXGK-UHFFFAOYSA-N |
| MDL Number | MFCD26523345 |
| Molecular Formula | C8H6BrN3S |
| Molecular Weight | 256.1223 |
| SMILES | Brc1ccc(cc1)c1nnsc1N |
| Synonyms | 4-(4-BROMOPHENYL)-1,2,3-THIADIAZOL-5-AMINE,
1782220-95-4,
KM5594,
ZINC95496033,
Y2631,
C8H6BrN3S,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.121g/mol |
| Monoisotopic Mass | 254.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number