Benzothiazole,6-ethynyl- (CAS 864376-04-5) — formula C9H5NS, molecular weight 159.21.
Benzothiazole,6-ethynyl- is a chemical compound with CAS registry number 864376-04-5 and molecular formula C9H5NS (molecular weight 159.21).
CAS number: 864376-04-5
Its molecular formula C9H5NS comprises 9 C, 5 H, 1 N, 1 S atoms.
Also known as: Benzothiazole,6-ethynyl-
The CAS registry number of Benzothiazole,6-ethynyl- is 864376-04-5.
Molecular formula C9H5NS, molecular weight 159.21.
It is also registered under: Benzothiazole,6-ethynyl-.
Public-database records for Benzothiazole,6-ethynyl- (CAS 864376-04-5), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 864376-04-5 |
|---|---|
| PubChem CID | 23154588 |
| 分子式 | C9H5NS |
| IUPAC 名称 | 6-ethynyl-1,3-benzothiazole |
864376-04-5; 6-ethynyl-1,3-benzothiazole; DTXSID60631056; RefChem:308308; DTXCID40581808; 892-247-3; 6-Ethynylbenzo[d]thiazole; Benzothiazole, 6-ethynyl-; Benzothiazole, 6-ethynyl- (9CI); 6-ethynylbenzothiazole; MFCD11846176; 6-ETHYNYL-BENZOTHIAZOLE; 6-Ethynylbenzo[d]thiazole;Benzothiazole, 6-ethynyl- (9CI); SCHEMBL206612; SCHEMBL3032150; WLAQOZDEVUECED-UHFFFAOYSA-N
| 分子量 | 159.21 |
|---|---|
| XLogP3 | 2.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 1 |
| 精确质量 | 159.01427034 |
| 单同位素质量 | 159.01427034 |
| 拓扑极性表面积 | 41.1 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
Benzothiazole,6-ethynyl- · CAS 864376-04-5 · C9H5NS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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