2-{[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl}acetic acid (CAS 94639-80-2) — formula C21H16N2O3S, molecular weight 376.4; category organic chemicals.
| CAS Number | 94639-80-2 |
|---|---|
| Molecular Formula | C21H16N2O3S |
| Molecular Weight | 376.4 |
| LogP | 4.3 |
| Category | Organic Chemicals |
2-{[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl}acetic acid is a carbon-based organic compound with CAS registry number 94639-80-2 and molecular formula C21H16N2O3S (molecular weight 376.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94639-80-2
Its molecular formula C21H16N2O3S comprises 21 C, 16 H, 2 N, 3 O, 1 S atoms.
Also known as: 2-{[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl}acetic acid · 2-{[3-氰基-6-(4-甲氧基苯基)-4-苯基吡啶-2-基]硫基}乙酸
Category: organic chemicals
The CAS registry number of 2-{[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl}acetic acid is 94639-80-2.
Molecular formula C21H16N2O3S, molecular weight 376.4.
It is also registered under: 2-{[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl}acetic acid, 2-{[3-氰基-6-(4-甲氧基苯基)-4-苯基吡啶-2-基]硫基}乙酸.
Category: Organic Chemicals.
Independent reference data for 2-{[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl}acetic acid (CAS 94639-80-2), compiled from public chemistry databases.
| CAS 号 | 94639-80-2 |
|---|---|
| PubChem CID | 1047171 |
| 分子式 | C21H16N2O3S |
| IUPAC 名称 | 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetic acid |
| UNII（FDA） | HMS2805O04 |
| Molecular Weight | 376.4 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 376.08816355 |
| Monoisotopic Mass | 376.08816355 |
| Topological Polar Surface Area | 109 |
| Heavy Atom Count | 27 |
94639-80-2; {[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetic acid; 2-((3-Cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl)thio)acetic acid; 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetic acid; 2-{[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl}acetic acid; MLS001180879; SMR000476010; 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridylthio]acetic acid; MFCD01090816; AE-848/33207029; CHEMBL1709376; SCHEMBL14596763; BDBM96185; cid_1047171; HMS2805O04; SBB015866
2-{[3-氰基-6-(4-甲氧基苯基)-4-苯基吡啶-2-基]硫基}乙酸 · CAS 94639-80-2 · C21H16N2O3S. UNII HMS2805O04.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.