| CAS Number | 339017-98-0 |
| Catalog Number | AG00IVLA(AGN-PC-0WAW0R) |
| Chemical Name | benzenecarbaldehyde N-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]hydrazone |
| IUPAC Name | N-[(E)-benzylideneamino]-6-chloro-2-methylsulfanylpyrimidin-4-amine |
| InChI | InChI=1S/C12H11ClN4S/c1-18-12-15-10(13)7-11(16-12)17-14-8-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)/b14-8+ |
| InChI Key | IAXJSPGMKCOUMG-RIYZIHGNSA-N |
| MDL Number | MFCD00974404 |
| Molecular Formula | C12H11ClN4S |
| Molecular Weight | 278.7605 |
| SMILES | ClC1(=NC(SC)=NC(=C1)NN=CC2(=CC=CC=C2)) |
| Synonyms | 339017-98-0,
benzenecarbaldehyde N-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]hydrazone,
Benzenecarbaldehyde N-(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)hydrazone,
4-chloro-2-(methylsulfanyl)-6-[(E)-2-(phenylmethylidene)hydrazin-1-yl]pyrimidine,
AKOS005100676,
7M-845,
CID9611699,
N-(benzylideneamino)-6-chloro-2-methylsulfanyl-pyrimidin-4-amine,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 278.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.758g/mol |
| Monoisotopic Mass | 278.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number