6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 70638-53-8) — formula C12H9N3OS, molecular weight 243.29; category organic chemicals.
| CAS Number | 70638-53-8 |
|---|---|
| Molecular Formula | C12H9N3OS |
| Molecular Weight | 243.29 |
| LogP | 1.6 |
| Category | Organic Chemicals |
6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is a carbon-based organic compound with CAS registry number 70638-53-8 and molecular formula C12H9N3OS (molecular weight 243.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70638-53-8
Its molecular formula C12H9N3OS comprises 12 C, 9 H, 3 N, 1 O, 1 S atoms.
Also known as: 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile · 6-(4-甲基苯基)-4-氧代-2-亚硫基-1,2,3,4-四氢嘧啶-5-甲腈
Category: organic chemicals
The CAS registry number of 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 70638-53-8.
Molecular formula C12H9N3OS, molecular weight 243.29.
It is also registered under: 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 6-(4-甲基苯基)-4-氧代-2-亚硫基-1,2,3,4-四氢嘧啶-5-甲腈.
Category: Organic Chemicals.
Independent reference data for 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 70638-53-8), compiled from public chemistry databases.
| CAS 号 | 70638-53-8 |
|---|---|
| PubChem CID | 715965 |
| 分子式 | C12H9N3OS |
| IUPAC 名称 | 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile |
| UNII（FDA） | HMS2688F20 |
| Molecular Weight | 243.29 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 243.04663309 |
| Monoisotopic Mass | 243.04663309 |
| Topological Polar Surface Area | 97 |
| Heavy Atom Count | 17 |
6-(4-methylphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile; RefChem:539444; 110-012-9; 70638-53-8; 6-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile; 6-(4-METHYLPHENYL)-4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE; 4-oxo-2-thioxo-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile; Oprea1_339264; MLS000621597; CHEMBL88453; TQR957; SCHEMBL16772567; DTXSID701333683; HMS2688F20; 4-hydroxy-6-(4-methylphenyl)-2-sulfanylpyrimidine-5-carbonitrile; SBB016446
| 已通报的危害声明 | H302 (100%) |
|---|
6-(4-甲基苯基)-4-氧代-2-亚硫基-1,2,3,4-四氢嘧啶-5-甲腈 · CAS 70638-53-8 · C12H9N3OS. UNII HMS2688F20.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.