| CAS Number | 31408-19-2 |
| Catalog Number | AG00IQHT(AGN-PC-0K5VLI) |
| Chemical Name | 5-phenyl-2-pyrimidinethiol |
| IUPAC Name | 5-phenyl-1H-pyrimidine-2-thione |
| InChI | InChI=1S/C10H8N2S/c13-10-11-6-9(7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13) |
| InChI Key | UFSZPRQQIUALSF-UHFFFAOYSA-N |
| MDL Number | MFCD00232558 |
| Molecular Formula | C10H8N2S |
| Molecular Weight | 188.2489 |
| SMILES | SC2(=NC=C(C1(=CC=CC=C1))C=N2) |
| Synonyms | 5-phenyl-2-pyrimidinethiol,
5-phenylpyrimidine-2-thiol,
31408-19-2,
AC1LS8FM,
SCHEMBL19060925,
KS-00001ZCF,
5-phenyl-1H-pyrimidine-2-thione,
ZINC5769970,
MFCD00232558,
AKOS005098148,
7J-610S,
MCULE-1975877887,
5-phenyl-1,2-dihydropyrimidine-2-thione,
J3.585.205K,
ZINC01397674,
CID1483986,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.248g/mol |
| Monoisotopic Mass | 188.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number