| CAS Number | 1781571-44-5 |
| Catalog Number | AG01C6L6 |
| Chemical Name | (4-Bromo-1,2-thiazol-5-yl)methanamine |
| IUPAC Name | (4-bromo-1,2-thiazol-5-yl)methanamine |
| InChI | InChI=1S/C4H5BrN2S/c5-3-2-7-8-4(3)1-6/h2H,1,6H2 |
| InChI Key | PVGREBNMTPTWQI-UHFFFAOYSA-N |
| MDL Number | MFCD30619572 |
| Molecular Formula | C4H5BrN2S |
| Molecular Weight | 193.0649 |
| SMILES | NCC1=C(Br)C=NS1 |
| Synonyms | (4-bromo-1,2-thiazol-5-yl)methanamine,
1781571-44-5,
AKOS024067582,
ZINC213661112,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.062g/mol |
| Monoisotopic Mass | 191.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number