(4-CHLOROBENZYL)THIOACETIC ACID (CAS 90649-82-4) — formula C9H9ClO2S, molecular weight 216.68; category organic chemicals.
| CAS Number | 90649-82-4 |
|---|---|
| Molecular Formula | C9H9ClO2S |
| Molecular Weight | 216.68 |
| LogP | 2.7 |
| Category | Organic Chemicals |
(4-CHLOROBENZYL)THIOACETIC ACID is a carbon-based organic compound with CAS registry number 90649-82-4 and molecular formula C9H9ClO2S (molecular weight 216.68), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 90649-82-4
Its molecular formula C9H9ClO2S comprises 9 C, 9 H, 1 Cl, 2 O, 1 S atoms.
Also known as: (4-CHLOROBENZYL)THIOACETIC ACID · (4-氯苄基)硫代]乙酸
Category: organic chemicals
The CAS registry number of (4-CHLOROBENZYL)THIOACETIC ACID is 90649-82-4.
Molecular formula C9H9ClO2S, molecular weight 216.68.
It is also registered under: (4-CHLOROBENZYL)THIOACETIC ACID, (4-氯苄基)硫代]乙酸.
Category: Organic Chemicals.
Independent reference data for (4-CHLOROBENZYL)THIOACETIC ACID (CAS 90649-82-4), compiled from public chemistry databases.
| CAS 号 | 90649-82-4 |
|---|---|
| PubChem CID | 248360 |
| 分子式 | C9H9ClO2S |
| IUPAC 名称 | 2-[(4-chlorophenyl)methylsulfanyl]acetic acid |
| UNII（FDA） | HMS2341A04 |
| Molecular Weight | 216.68 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 216.0011784 |
| Monoisotopic Mass | 216.0011784 |
| Topological Polar Surface Area | 62.6 |
| Heavy Atom Count | 13 |
[(4-chlorobenzyl)thio]acetic acid; 90649-82-4; 2-{[(4-chlorophenyl)methyl]sulfanyl}acetic acid; 2-[(4-chlorophenyl)methylsulfanyl]acetic acid; Acetic acid, [[(4-chlorophenyl)methyl]thio]-; {[(4-chlorophenyl)methyl]sulfanyl}acetic acid; MFCD00494435; [(4-chlorobenzyl)sulfanyl]acetic acid; HMS2341A04; MLS000061925; CHEMBL1881458; DTXSID80289891; ALBB-009425; NSC65091; 2-((4-Chlorobenzyl)thio)aceticacid; BBL007211
(4-氯苄基)硫代]乙酸 · CAS 90649-82-4 · C9H9ClO2S. UNII HMS2341A04.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (4-氯苄基)硫代]乙酸