| CAS Number | 61450-91-7 |
| Catalog Number | AG01DWJC(AGN-PC-02RZGL) |
| Chemical Name | 2-Bromo-5-(methoxymethyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-bromo-5-(methoxymethyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C4H5BrN2OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3 |
| InChI Key | WLFHBDROTUDXEH-UHFFFAOYSA-N |
| MDL Number | MFCD08436692 |
| Molecular Formula | C4H5BrN2OS |
| Molecular Weight | 209.0643 |
| SMILES | COCC1SC(Br)=NN=1 |
| Synonyms | 2-Bromo-5-(methoxymethyl)-1,3,4-thiadiazole,
61450-91-7,
SCHEMBL3323612,
CTK2D9701,
DTXSID80605830,
ZINC11920186,
AKOS012690046,
1,3,4-Thiadiazole, 2-bromo-5-(methoxymethyl)-,
F2169-0009,
|
| Complexity | 94.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.061g/mol |
| Monoisotopic Mass | 207.931g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number