| CAS Number | 1245563-14-7 |
| Catalog Number | AG000M7M(AGN-PC-0WAEPY) |
| Chemical Name | O-5-Bromopyridin-3-yl dimethylcarbamothioate |
| IUPAC Name | O-(5-bromopyridin-3-yl) N,N-dimethylcarbamothioate |
| InChI | InChI=1S/C8H9BrN2OS/c1-11(2)8(13)12-7-3-6(9)4-10-5-7/h3-5H,1-2H3 |
| InChI Key | QFYLIIDNTFHXSD-UHFFFAOYSA-N |
| MDL Number | MFCD17015843 |
| Molecular Formula | C8H9BrN2OS |
| Molecular Weight | 261.1389 |
| SMILES | Brc1cncc(c1)OC(=S)N(C)C |
| Synonyms | O-5-Bromopyridin-3-yl dimethylcarbamothioate,
1245563-14-7,
ACMC-209asf,
O-(5-Bromopyridin-3-yl) dimethylcarbamothioate,
SCHEMBL17993190,
CTK4B3976,
DTXSID90682450,
ANW-18253,
MFCD17015843,
ZINC65337514,
AKOS015850770,
TR-035055,
Z8793,
B-3692,
I09-2157,
Carbamothioic acid, N,N-dimethyl-, O-(5-bromo-3-pyridinyl) ester,
C8H9BrN2OS,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.137g/mol |
| Monoisotopic Mass | 259.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number