4-[(1,3-BENZOTHIAZOL-2-YLTHIO)METHYL]BENZOIC ACID (CAS 82145-84-4) — formula C15H11NO2S2, molecular weight 301.4; category organic chemicals.
| CAS Number | 82145-84-4 |
|---|---|
| Molecular Formula | C15H11NO2S2 |
| Molecular Weight | 301.4 |
| LogP | 4.1 |
| Category | Organic Chemicals |
4-[(1,3-BENZOTHIAZOL-2-YLTHIO)METHYL]BENZOIC ACID is a carbon-based organic compound with CAS registry number 82145-84-4 and molecular formula C15H11NO2S2 (molecular weight 301.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82145-84-4
Its molecular formula C15H11NO2S2 comprises 15 C, 11 H, 1 N, 2 O, 2 S atoms.
Also known as: 4-[(1,3-BENZOTHIAZOL-2-YLTHIO)METHYL]BENZOIC ACID · 4-[(1,3-苯并噻唑-2-硫代)甲基]苯甲酸
Category: organic chemicals
The CAS registry number of 4-[(1,3-BENZOTHIAZOL-2-YLTHIO)METHYL]BENZOIC ACID is 82145-84-4.
Molecular formula C15H11NO2S2, molecular weight 301.4.
It is also registered under: 4-[(1,3-BENZOTHIAZOL-2-YLTHIO)METHYL]BENZOIC ACID, 4-[(1,3-苯并噻唑-2-硫代)甲基]苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-[(1,3-BENZOTHIAZOL-2-YLTHIO)METHYL]BENZOIC ACID (CAS 82145-84-4), compiled from public chemistry databases.
| CAS 号 | 82145-84-4 |
|---|---|
| PubChem CID | 694809 |
| 分子式 | C15H11NO2S2 |
| IUPAC 名称 | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid |
| UNII（FDA） | HMS1422M15 |
| Molecular Weight | 301.4 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 301.02312094 |
| Monoisotopic Mass | 301.02312094 |
| Topological Polar Surface Area | 104 |
| Heavy Atom Count | 20 |
82145-84-4; 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoic acid; 4-((1,3-Benzothiazol-2-ylsulfanyl)methyl)benzoic acid; RefChem:508764; 985-372-0; 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid; 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid; MFCD01305170; 4-[(2-Benzothiazolylthio)methyl]benzoic Acid; 4-((benzo[d]thiazol-2-ylthio)methyl)benzoic acid; IFLab1_003799; Oprea1_364992; SCHEMBL10687158; HMS1422M15; STK791069; AKOS001054481
| 已通报的危害声明 | H302 (50%), H315 (50%), H319 (50%), H335 (50%), H413 (50%) |
|---|
4-[(1,3-苯并噻唑-2-硫代)甲基]苯甲酸 · CAS 82145-84-4 · C15H11NO2S2. UNII HMS1422M15.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-[(1,3-苯并噻唑-2-硫代)甲基]苯甲酸