NSC51446 (CAS 6345-13-7) — formula C9H9NO4S, molecular weight 227.24; category organic chemicals.
| CAS Number | 6345-13-7 |
|---|---|
| Molecular Formula | C9H9NO4S |
| Molecular Weight | 227.24 |
| LogP | 1.9 |
| Category | Organic Chemicals |
NSC51446 is a carbon-based organic compound with CAS registry number 6345-13-7 and molecular formula C9H9NO4S (molecular weight 227.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6345-13-7
Its molecular formula C9H9NO4S comprises 9 C, 9 H, 1 N, 4 O, 1 S atoms.
Also known as: NSC51446 · 2-[(4-硝基苯基)甲基硫基]乙酸
Category: organic chemicals
The CAS registry number of NSC51446 is 6345-13-7.
Molecular formula C9H9NO4S, molecular weight 227.24.
It is also registered under: NSC51446, 2-[(4-硝基苯基)甲基硫基]乙酸.
Category: Organic Chemicals.
Independent reference data for NSC51446 (CAS 6345-13-7), compiled from public chemistry databases.
| CAS 号 | 6345-13-7 |
|---|---|
| PubChem CID | 242647 |
| 分子式 | C9H9NO4S |
| IUPAC 名称 | 2-[(4-nitrophenyl)methylsulfanyl]acetic acid |
| UNII（FDA） | ST45130415 |
| Molecular Weight | 227.24 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 227.02522894 |
| Monoisotopic Mass | 227.02522894 |
| Topological Polar Surface Area | 108 |
| Heavy Atom Count | 15 |
[(4-nitrobenzyl)thio]acetic acid; 6345-13-7; 2-[(4-nitrophenyl)methylsulfanyl]acetic acid; [(4-nitrobenzyl)sulfanyl]acetic acid; 2-{[(4-nitrophenyl)methyl]sulfanyl}acetic acid; 2-((4-nitrobenzyl)thio)acetic acid; MFCD00540019; C9H9NO4S; Acetic acid, [[(4-nitrophenyl)methyl]thio]-; (4-nitrobenzylthio)acetic acid; {[(4-nitrophenyl)methyl]sulfanyl}acetic acid; NSC51446; Cambridge id 5325025; SCHEMBL8330990; DTXSID10287527; 2-((4-nitrobenzyl)thio)aceticacid
2-[(4-硝基苯基)甲基硫基]乙酸 · CAS 6345-13-7 · C9H9NO4S. UNII ST45130415.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[(4-硝基苯基)甲基硫基]乙酸