| CAS Number | 857412-75-0 |
| Catalog Number | AG00J2MD(AGN-PC-0WRAPD) |
| Chemical Name | 5-Methyl-4-phenyl-2-pyrimidinethiol |
| IUPAC Name | 5-methyl-6-phenyl-1H-pyrimidine-2-thione |
| InChI | InChI=1S/C11H10N2S/c1-8-7-12-11(14)13-10(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14) |
| InChI Key | AFFDJFDQEJGFDN-UHFFFAOYSA-N |
| MDL Number | MFCD01689264 |
| Molecular Formula | C11H10N2S |
| Molecular Weight | 202.2755 |
| SMILES | N1C(S)=NC=C(C)C=1C1C=CC=CC=1 |
| Synonyms | 5-methyl-4-phenyl-2-pyrimidinethiol,
857412-75-0,
5-METHYL-4-PHENYLPYRIMIDINE-2-THIOL,
AC1MHS9T,
NIOSH/UW0519500,
ZINC8732311,
5-Methyl-6-phenyl-2-pyrimidinethiol,
MFCD01689264,
AKOS030631126,
2-Pyrimidinethiol, 5-methyl-6-phenyl-,
5-methyl-6-phenyl-1H-pyrimidine-2-thione,
LS-135597,
UW05195000,
W-8547,
CID3031517,
UW0519500,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.275g/mol |
| Monoisotopic Mass | 202.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number