2-[(Acetylthio)methyl]-phenylpropionic acid (CAS 91702-98-6) — formula C12H14O3S, molecular weight 238.30; category organic chemicals.
| CAS Number | 91702-98-6 |
|---|---|
| Molecular Formula | C12H14O3S |
| Molecular Weight | 238.30 |
| LogP | 2.1 |
| Category | Organic Chemicals |
2-[(Acetylthio)methyl]-phenylpropionic acid is a carbon-based organic compound with CAS registry number 91702-98-6 and molecular formula C12H14O3S (molecular weight 238.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 91702-98-6
Its molecular formula C12H14O3S comprises 12 C, 14 H, 3 O, 1 S atoms.
Also known as: 2-[(Acetylthio)methyl]-phenylpropionic acid · 2-[(乙酰硫)甲基]-3-苯基丙酸
Category: organic chemicals
The CAS registry number of 2-[(Acetylthio)methyl]-phenylpropionic acid is 91702-98-6.
Molecular formula C12H14O3S, molecular weight 238.30.
It is also registered under: 2-[(Acetylthio)methyl]-phenylpropionic acid, 2-[(乙酰硫)甲基]-3-苯基丙酸.
Category: Organic Chemicals.
Independent reference data for 2-[(Acetylthio)methyl]-phenylpropionic acid (CAS 91702-98-6), compiled from public chemistry databases.
| CAS 号 | 91702-98-6 |
|---|---|
| PubChem CID | 9991796 |
| 分子式 | C12H14O3S |
| IUPAC 名称 | 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid |
| Molecular Weight | 238.30 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 238.06636548 |
| Monoisotopic Mass | 238.06636548 |
| Topological Polar Surface Area | 79.7 |
| Heavy Atom Count | 16 |
91702-98-6; 2-[(Acetylthio)methyl]-3-phenylpropionic Acid; 2-((acetylthio)methyl)-3-phenylpropionic acid; RefChem:449783; 677-137-3; 80969-99-9; 3-ACETYLTHIO-2-BENZYLPROPANIC ACID; 3-(Acetylthio)-2-benzylpropanoic acid; 3-(acetylsulfanyl)-2-benzylpropanoic acid; 3-(Acetylthio)-2-benzylpropionic Acid; 2-[(Acetylthio)methyl]-3-phenylpropanoic acid; MFCD00236751; 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid; (R)-alpha-[(Acetylthio)methyl]benzenepropanoic Acid; (RS)-2-Acetylsulfanylmethyl-3-phenyl-propionic acid; 3-acetylthio-2-benzylpropanoic acid
| 已通报的危害声明 | H315 (100%), H319 (100%) |
|---|
2-[(乙酰硫)甲基]-3-苯基丙酸 · CAS 91702-98-6 · C12H14O3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[(乙酰硫)甲基]-3-苯基丙酸