(4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID (CAS 95546-61-5) — formula C14H16N2O2S, molecular weight 276.36; category organic chemicals.
| CAS Number | 95546-61-5 |
|---|---|
| Molecular Formula | C14H16N2O2S |
| Molecular Weight | 276.36 |
| LogP | 3.2 |
| Category | Organic Chemicals |
(4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID is a carbon-based organic compound with CAS registry number 95546-61-5 and molecular formula C14H16N2O2S (molecular weight 276.36), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 95546-61-5
Its molecular formula C14H16N2O2S comprises 14 C, 16 H, 2 N, 2 O, 1 S atoms.
Also known as: (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID · (4-氰基-1-乙基-5,6,7,8-四氢-异喹啉-3-磺基)-乙酸
Category: organic chemicals
The CAS registry number of (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID is 95546-61-5.
Molecular formula C14H16N2O2S, molecular weight 276.36.
It is also registered under: (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID, (4-氰基-1-乙基-5,6,7,8-四氢-异喹啉-3-磺基)-乙酸.
Category: Organic Chemicals.
Independent reference data for (4-CYANO-1-ETHYL-5,6,7,8-TETRAHYDRO-ISOQUINOLIN-3-YLSULFANYL)-ACETIC ACID (CAS 95546-61-5), compiled from public chemistry databases.
| CAS 号 | 95546-61-5 |
|---|---|
| PubChem CID | 3145114 |
| 分子式 | C14H16N2O2S |
| IUPAC 名称 | 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetic acid |
| UNII（FDA） | HMS2668M20 |
| Molecular Weight | 276.36 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 276.09324893 |
| Monoisotopic Mass | 276.09324893 |
| Topological Polar Surface Area | 99.3 |
| Heavy Atom Count | 19 |
95546-61-5; 2-((4-Cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetic acid; (4-Cyano-1-ethyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetic acid; 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetic acid; 2-(4-cyano-1-ethyl-3-5,6,7,8-tetrahydroisoquinolylthio)acetic acid; [(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetic acid; Oprea1_102755; Oprea1_863031; MLS000714747; CHEMBL1461195; HMS2668M20; CCG-18892; SBB027390; STK788548; AKOS000300190; SMR000274726
(4-氰基-1-乙基-5,6,7,8-四氢-异喹啉-3-磺基)-乙酸 · CAS 95546-61-5 · C14H16N2O2S. UNII HMS2668M20.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.