| CAS Number | 33870-91-6 |
| Catalog Number | AG019PTA(AGN-PC-0WOA0X) |
| Chemical Name | 2-(Benzylsulfanyl)-6-chloropyrazine |
| IUPAC Name | 2-benzylsulfanyl-6-chloropyrazine |
| InChI | InChI=1S/C11H9ClN2S/c12-10-6-13-7-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | HOHVCKHYQZOUPV-UHFFFAOYSA-N |
| MDL Number | MFCD11618568 |
| Molecular Formula | C11H9ClN2S |
| Molecular Weight | 236.7206 |
| SMILES | ClC1=NC(SCC2=CC=CC=C2)=CN=C1 |
| Synonyms | 2-(benzylsulfanyl)-6-chloropyrazine,
33870-91-6,
SCHEMBL1502544,
ZINC37022617,
AKOS009106649,
NE15214,
FT-0713047,
Pyrazine, 2-chloro-6-[(phenylmethyl)thio]-,
2-(benzylthio)-6-chloropyrazine,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.717g/mol |
| Monoisotopic Mass | 236.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number