| CAS Number | 915920-15-9 |
| Catalog Number | AG00GTOQ(AGN-PC-0WB3QV) |
| Chemical Name | 2-(Benzylthio)pyrimidine-5-carbaldehyde |
| IUPAC Name | 2-benzylsulfanylpyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C12H10N2OS/c15-8-11-6-13-12(14-7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | VLTDTICMHNEHCX-UHFFFAOYSA-N |
| MDL Number | MFCD08691653 |
| Molecular Formula | C12H10N2OS |
| Molecular Weight | 230.2856 |
| SMILES | C1(SCC2=CC=CC=C2)=NC=C(C=N1)C=O |
| Synonyms | 915920-15-9,
2-(BENZYLTHIO)PYRIMIDINE-5-CARBALDEHYDE,
CHEMBRDG-BB 4022160,
2-(benzylthio)-5-pyrimidinecarbaldehyde,
2-(Benzylsulfanyl)pyrimidine-5-carbaldehyde,
CTK5G9896,
DTXSID80649830,
ZX-CM005160,
MFCD08691653,
ZINC14608611,
AKOS022185074,
AJ-65011,
Y-4322,
2-(benzylthio)pyrimidine-5-carbaldehyde, AldrichCPR,
CHEMBRDG-BB4022160,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.285g/mol |
| Monoisotopic Mass | 230.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number