4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)- (CAS 4886-15-1) — formula C6H7NO2S3, molecular weight 221.3; category organic chemicals.
| CAS Number | 4886-15-1 |
|---|---|
| Molecular Formula | C6H7NO2S3 |
| Molecular Weight | 221.3 |
| LogP | 2.2 |
| Category | Organic Chemicals |
4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)- is a carbon-based organic compound with CAS registry number 4886-15-1 and molecular formula C6H7NO2S3 (molecular weight 221.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4886-15-1
Its molecular formula C6H7NO2S3 comprises 6 C, 7 H, 1 N, 2 O, 3 S atoms.
Also known as: 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)- · 双(甲基硫烷基)-1,2-噻唑-4-羧酸
Category: organic chemicals
The CAS registry number of 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)- is 4886-15-1.
Molecular formula C6H7NO2S3, molecular weight 221.3.
It is also registered under: 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, 双(甲基硫烷基)-1,2-噻唑-4-羧酸.
Category: Organic Chemicals.
Independent reference data for 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)- (CAS 4886-15-1), compiled from public chemistry databases.
| CAS 号 | 4886-15-1 |
|---|---|
| PubChem CID | 613526 |
| 分子式 | C6H7NO2S3 |
| IUPAC 名称 | 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid |
| UNII（FDA） | HMS1448D09 |
| Molecular Weight | 221.3 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 220.96389199 |
| Monoisotopic Mass | 220.96389199 |
| Topological Polar Surface Area | 129 |
| Heavy Atom Count | 12 |
bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid; RefChem:569159; 985-087-1; 4886-15-1; 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid; 3,5-Bis(methylthio)isothiazole-4-carboxylic acid; 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid; 3,5-dimethylthioisothiazole-4-carboxylic acid; 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-; MFCD00737783; Maybridge3_006059; MLS000716860; SCHEMBL8304785; CHEMBL1609709; DTXSID30346600; IQFPLSISGDGBMJ-UHFFFAOYSA-N
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
双(甲基硫烷基)-1,2-噻唑-4-羧酸 · CAS 4886-15-1 · C6H7NO2S3. UNII HMS1448D09.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 双(甲基硫烷基)-1,2-噻唑-4-羧酸