2-Butyl-1,2-benzisothiazolin-3-one (CAS 4299-07-4) — formula C11H13NOS, molecular weight 207.29; category organic chemicals.
2-Butyl-1,2-benzisothiazolin-3-one is a carbon-based organic compound with CAS registry number 4299-07-4 and molecular formula C11H13NOS (molecular weight 207.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4299-07-4
Its molecular formula C11H13NOS comprises 11 C, 13 H, 1 N, 1 O, 1 S atoms.
Also known as: 2-Butyl-1,2-benzisothiazolin-3-one · N-butyl-1,2-benzisothiazolin-3-one
Category: organic chemicals
The CAS registry number of 2-Butyl-1,2-benzisothiazolin-3-one is 4299-07-4.
Molecular formula C11H13NOS, molecular weight 207.29.
It is also registered under: 2-Butyl-1,2-benzisothiazolin-3-one, N-butyl-1,2-benzisothiazolin-3-one.
Category: Organic Chemicals.
Public-database records for 2-Butyl-1,2-benzisothiazolin-3-one (CAS 4299-07-4), reproduced here for independent cross-checking.
| 已通报的危害声明 | H314, H317, H400, H410, H318 (88.4%) |
|---|
| CAS 号 | 4299-07-4 |
|---|---|
| PubChem CID | 9837171 |
| 分子式 | C11H13NOS |
| IUPAC 名称 | 2-butyl-1,2-benzothiazol-3-one |
| UNII（FDA） | 7PK26VAT4Q |
4299-07-4; 2-Butyl-1,2-benzisothiazolin-3-one; 1,2-Benzisothiazol-3(2H)-one, 2-butyl-; 2-Butyl-2,3-dihydrobenzisothiazol-3-one; n-butyl-1,2-benzisothiazolin-3-one; 7PK26VAT4Q; UNII-7PK26VAT4Q; 2-Butyl-1,2-benzisothiazolin-3(2H)-one; DTXSID2035649; EC 420-590-7; RefChem:86025; DTXCID0015649; 686-564-4; 2-butylbenzo[d]isothiazol-3(2H)-one; 2-BUTYL-1,2-BENZOTHIAZOL-3-ONE; MFCD09751282
| 分子量 | 207.29 |
|---|---|
| XLogP3 | 2.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 207.07178521 |
| 单同位素质量 | 207.07178521 |
| 拓扑极性表面积 | 45.6 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
正-丁基-1, 2-苯并异噻唑啉-3-酮 BBIT · CAS 4299-07-4 · C11H13NOS. UNII 7PK26VAT4Q.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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