| CAS Number | 951122-65-9 |
| Catalog Number | AG01BVTH |
| Chemical Name | 2-(Bromomethyl)-5-cyclopropyl-1,3,4-thiadiazole |
| IUPAC Name | 2-(bromomethyl)-5-cyclopropyl-1,3,4-thiadiazole |
| InChI | InChI=1S/C6H7BrN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2 |
| InChI Key | NJNWHEMXTWUORQ-UHFFFAOYSA-N |
| MDL Number | MFCD24464979 |
| Molecular Formula | C6H7BrN2S |
| Molecular Weight | 219.1022 |
| SMILES | BrCC1SC(C2CC2)=NN=1 |
| Synonyms | 2-(bromomethyl)-5-cyclopropyl-1,3,4-thiadiazole,
951122-65-9,
SCHEMBL201241,
NJNWHEMXTWUORQ-UHFFFAOYSA-N,
ZINC113300280,
FT-0742794,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.1g/mol |
| Monoisotopic Mass | 217.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number