4,3-premercapturic acid (CAS 21125-60-0) — formula C11H14BrNO4S, molecular weight 336.20; category organic chemicals.
| CAS Number | 21125-60-0 |
|---|---|
| Molecular Formula | C11H14BrNO4S |
| Molecular Weight | 336.20 |
| LogP | 0.6 |
| Category | Organic Chemicals |
4,3-premercapturic acid is a carbon-based organic compound with CAS registry number 21125-60-0 and molecular formula C11H14BrNO4S (molecular weight 336.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21125-60-0
Its molecular formula C11H14BrNO4S comprises 11 C, 14 H, 1 Br, 1 N, 4 O, 1 S atoms.
Also known as: 4,3-premercapturic acid · 4,3-前硫醇酸
Category: organic chemicals
The CAS registry number of 4,3-premercapturic acid is 21125-60-0.
Molecular formula C11H14BrNO4S, molecular weight 336.20.
It is also registered under: 4,3-premercapturic acid, 4,3-前硫醇酸.
Category: Organic Chemicals.
Independent reference data for 4,3-premercapturic acid (CAS 21125-60-0), compiled from public chemistry databases.
| CAS 号 | 21125-60-0 |
|---|---|
| PubChem CID | 65278 |
| 分子式 | C11H14BrNO4S |
| IUPAC 名称 | (2R)-2-acetamido-3-(4-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid |
| Molecular Weight | 336.20 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 334.98269 |
| Monoisotopic Mass | 334.98269 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 18 |
4-S-Premercapturic acid; 21125-60-0; 4,3-Premercapturic acid; N-Acetyl-S-(2-hydroxy-4-bromocyclohexa-3,5-dienyl)cysteine; RefChem:96157; (2R)-2-acetamido-3-(4-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid; DTXSID60943449; L-Cysteine, N-acetyl-S-(4-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)-; S-(4-Bromo-6-hydroxycyclohexa-2,4-dien-1-yl)-N-(1-hydroxyethylidene)-L-cysteine; S-(4-Bromo-6-hydroxycyclohexa-2,4-dien-1-yl)-N-(1-hydroxyethylidene)cysteine
4,3-前硫醇酸 · CAS 21125-60-0 · C11H14BrNO4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4,3-前硫醇酸