5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo- (CAS 70638-52-7) — formula C11H7N3OS, molecular weight 229.26; category organic chemicals.
| CAS Number | 70638-52-7 |
|---|---|
| Molecular Formula | C11H7N3OS |
| Molecular Weight | 229.26 |
| LogP | 1.2 |
| Category | Organic Chemicals |
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo- is a carbon-based organic compound with CAS registry number 70638-52-7 and molecular formula C11H7N3OS (molecular weight 229.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70638-52-7
Its molecular formula C11H7N3OS comprises 11 C, 7 H, 3 N, 1 O, 1 S atoms.
Also known as: 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo- · 4-氧代-6-苯基-2-硫代-1,2,3,4-四氢嘧啶-5-腈
Category: organic chemicals
The CAS registry number of 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo- is 70638-52-7.
Molecular formula C11H7N3OS, molecular weight 229.26.
It is also registered under: 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo-, 4-氧代-6-苯基-2-硫代-1,2,3,4-四氢嘧啶-5-腈.
Category: Organic Chemicals.
Independent reference data for 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo- (CAS 70638-52-7), compiled from public chemistry databases.
| CAS 号 | 70638-52-7 |
|---|---|
| PubChem CID | 686004 |
| 分子式 | C11H7N3OS |
| IUPAC 名称 | 4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile |
| UNII（FDA） | HMS1593C19 |
| Molecular Weight | 229.26 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 229.03098303 |
| Monoisotopic Mass | 229.03098303 |
| Topological Polar Surface Area | 97 |
| Heavy Atom Count | 16 |
70638-52-7; 4-oxo-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile; 4-hydroxy-6-phenyl-2-sulfanylpyrimidine-5-carbonitrile; 4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; 6-oxo-4-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile; MLS000523354; SMR000123332; 4-Oxo-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile; 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-phenyl-2-thioxo-; 2-mercapto-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile; MFCD00228595; cid_686004; TQR954; CHEMBL1320177; SCHEMBL17131839; SCHEMBL17550131
4-氧代-6-苯基-2-硫代-1,2,3,4-四氢嘧啶-5-腈 · CAS 70638-52-7 · C11H7N3OS. UNII HMS1593C19.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.