| CAS Number | 124595-97-7 |
| Catalog Number | AG00HHPL(AGN-PC-0WR83H) |
| Chemical Name | 2-(Butylsulfanyl)-5-chloropyrimidine |
| IUPAC Name | 2-butylsulfanyl-5-chloropyrimidine |
| InChI | InChI=1S/C8H11ClN2S/c1-2-3-4-12-8-10-5-7(9)6-11-8/h5-6H,2-4H2,1H3 |
| InChI Key | DWXZAIQHAIVIMR-UHFFFAOYSA-N |
| MDL Number | MFCD28669772 |
| Molecular Formula | C8H11ClN2S |
| Molecular Weight | 202.7043 |
| SMILES | CCCCSc1ncc(cn1)Cl |
| Synonyms | 124595-97-7,
2-(BUTYLSULFANYL)-5-CHLOROPYRIMIDINE,
Pyrimidine, 2-(butylthio)-5-chloro-,
ZINC261493574,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.7g/mol |
| Monoisotopic Mass | 202.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number