Benzothiazole,6-ethynyl- (CAS 864376-04-5) — formula C9H5NS, molecular weight 159.21.
| CAS Number | 864376-04-5 |
|---|---|
| Molecular Formula | C9H5NS |
| Molecular Weight | 159.21 |
| LogP | 2.3 |
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-.
Independent reference data for Benzothiazole,6-ethynyl- (CAS 864376-04-5), compiled from public chemistry databases.
| CAS Registry Number | 864376-04-5 |
|---|---|
| PubChem CID | 23154588 |
| Molecular formula | C9H5NS |
| IUPAC name | 6-ethynyl-1,3-benzothiazole |
| Molecular Weight | 159.21 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 159.01427034 |
| Monoisotopic Mass | 159.01427034 |
| Topological Polar Surface Area | 41.1 |
| Heavy Atom Count | 11 |
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
| 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]
Benzothiazole,6-ethynyl- · CAS 864376-04-5 · C9H5NS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Benzothiazole,6-ethynyl-