| CAS Number | 208837-85-8 |
| Catalog Number | AG00BNEJ(AGN-PC-0DACVJ) |
| Chemical Name | 5-(Bromomethyl)-1,2-thiazole |
| IUPAC Name | 5-(bromomethyl)-1,2-thiazole |
| InChI | InChI=1S/C4H4BrNS/c5-3-4-1-2-6-7-4/h1-2H,3H2 |
| InChI Key | BNSKNICKWKLOIF-UHFFFAOYSA-N |
| MDL Number | MFCD16038718 |
| Molecular Formula | C4H4BrNS |
| Molecular Weight | 178.0503 |
| SMILES | BrCC1SN=CC=1 |
| Synonyms | 5-(Bromomethyl)isothiazole,
208837-85-8,
5-(BROMOMETHYL)-1,2-THIAZOLE,
PubChem22267,
SCHEMBL7623308,
DTXSID90733774,
ZINC75629612,
BC004778,
DB-066367,
FT-0706030,
|
| Complexity | 59.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.047g/mol |
| Monoisotopic Mass | 176.925g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number