3-氰基-2-巯基-6-甲基异烟酸乙酯（CAS 56891-69-1）：分子式 C10H10N2O2S、分子量 222.27。
| CAS号 | 56891-69-1 |
|---|---|
| 分子式 | C10H10N2O2S |
| 分子量 | 222.27 |
| LogP | 1 |
3-氰基-2-巯基-6-甲基异烟酸乙酯 是一种化工化合物，登记 CAS 号为 56891-69-1，分子式 C10H10N2O2S（分子量 222.27）。
登记 CAS 号：56891-69-1
其分子式 C10H10N2O2S 由 10 个碳、10 个氢、2 个氮、2 个氧、1 个硫 组成。
别名/同义词：3-氰基-2-巯基-6-甲基异烟酸乙酯 · ethyl 3-cyano-2-mercapto-6-methylisonicotinate
3-氰基-2-巯基-6-甲基异烟酸乙酯 的 CAS 登记号为 56891-69-1。
分子式 C10H10N2O2S，分子量 222.27。
别名/同义词：3-氰基-2-巯基-6-甲基异烟酸乙酯、ethyl 3-cyano-2-mercapto-6-methylisonicotinate。
3-氰基-2-巯基-6-甲基异烟酸乙酯（CAS 56891-69-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 56891-69-1 |
|---|---|
| PubChem CID | 723622 |
| Molecular formula | C10H10N2O2S |
| IUPAC name | ethyl 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylate |
| UNII (FDA) | HMS1541F06 |
| Molecular Weight | 222.27 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.04629874 |
| Monoisotopic Mass | 222.04629874 |
| Topological Polar Surface Area | 94.2 |
| Heavy Atom Count | 15 |
3-Cyano-2-mercapto-6-methyl-isonicotinic acid ethyl ester; RefChem:500583; 678-750-9; 56891-69-1; Ethyl 3-cyano-2-mercapto-6-methylisonicotinate; ethyl 3-cyano-6-methyl-2-sulfanylpyridine-4-carboxylate; Ethyl 3-Cyano-2-Mercapto-6-Methylpyridine-4-Carboxylate; MFCD00052275; MLS000043775; ethyl 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylate; 3-Cyano-2-mercapto-6-methyl-isonicotinic acidethyl ester; SMR000020985; ethyl 3-cyano-6-methyl-2-thioxo-1,2-dihydropyridine-4-carboxylate; Ethyl 3-cyano-6-methyl-2-sulphanylisonicotinate; TimTec1_002580; cid_723622
| Reported hazard statements | H302, H312, H332 (20%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
ethyl 3-cyano-2-mercapto-6-methylisonicotinate · CAS 56891-69-1 · C10H10N2O2S. UNII HMS1541F06.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ethyl 3-cyano-2-mercapto-6-methylisonicotinate