2-chlorobenzylmercapturic acid (CAS 40379-72-4) — formula C12H14ClNO3S, molecular weight 287.76; category organic chemicals.
| CAS Number | 40379-72-4 |
|---|---|
| Molecular Formula | C12H14ClNO3S |
| Molecular Weight | 287.76 |
| LogP | 1.9 |
| Category | Organic Chemicals |
2-chlorobenzylmercapturic acid is a carbon-based organic compound with CAS registry number 40379-72-4 and molecular formula C12H14ClNO3S (molecular weight 287.76), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40379-72-4
Its molecular formula C12H14ClNO3S comprises 12 C, 14 H, 1 Cl, 1 N, 3 O, 1 S atoms.
Also known as: 2-chlorobenzylmercapturic acid · 2-氯苄基硫醇酸
Category: organic chemicals
The CAS registry number of 2-chlorobenzylmercapturic acid is 40379-72-4.
Molecular formula C12H14ClNO3S, molecular weight 287.76.
It is also registered under: 2-chlorobenzylmercapturic acid, 2-氯苄基硫醇酸.
Category: Organic Chemicals.
Independent reference data for 2-chlorobenzylmercapturic acid (CAS 40379-72-4), compiled from public chemistry databases.
| CAS 号 | 40379-72-4 |
|---|---|
| PubChem CID | 162013 |
| 分子式 | C12H14ClNO3S |
| IUPAC 名称 | (2R)-2-acetamido-3-[(2-chlorophenyl)methylsulfanyl]propanoic acid |
| Molecular Weight | 287.76 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 287.0382922 |
| Monoisotopic Mass | 287.0382922 |
| Topological Polar Surface Area | 91.7 |
| Heavy Atom Count | 18 |
40379-72-4; o-Chlorobenzylmercapturic acid; 2-Chlorobenzylmercapturic acid; L-Cysteine, N-acetyl-S-((2-chlorophenyl)methyl)-; RefChem:86462; n-acetyl-s-(2-chlorobenzyl)-l-cysteine; N-acetyl-S-[2-chlorobenzyl]-l-cysteine; SCHEMBL20817430; DTXSID30960789; S-[(2-Chlorophenyl)methyl]-N-(1-hydroxyethylidene)cysteine; S-[(2-Chlorophenyl)methyl]-N-(1-hydroxyethylidene)-L-cysteine
2-氯苄基硫醇酸 · CAS 40379-72-4 · C12H14ClNO3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-氯苄基硫醇酸