| CAS Number | 14305-25-0 |
| Catalog Number | AG007KGH(AGN-PC-00201G) |
| Chemical Name | 5-bromo-1,2-dihydropyrimidine-2-thione |
| IUPAC Name | 5-bromo-1H-pyrimidine-2-thione |
| InChI | InChI=1S/C4H3BrN2S/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8) |
| InChI Key | WHXPLARVWVJQDE-UHFFFAOYSA-N |
| MDL Number | MFCD16988187 |
| Molecular Formula | C4H3BrN2S |
| Molecular Weight | 191.0490 |
| SMILES | BrC1=CNC(=S)N=C1 |
| Synonyms | 14305-25-0,
5-Bromopyrimidine-2(1H)-thione,
WHXPLARVWVJQDE-UHFFFAOYSA-N,
ZINC34331205,
AKOS013187874,
NE54698,
CS-0079024,
5-bromo-1,2-dihydropyrimidine-2-thione,
5-BROMOPYRIMIDINE-2-THIONE,
2(1H)-Pyrimidinethione, 5-bromo-,
5-bromopyrimidine-2-thiol,
5-Bromo-2-mercaptopyrimidine,
SCHEMBL10980947,
SCHEMBL18929728,
CTK4C3457,
DTXSID00562310,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.046g/mol |
| Monoisotopic Mass | 189.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number