Cas no 3119-94-6 (Benzothiazolium,3-ethyl-, iodide (1:1))
3119-94-6 structure
Product Name:Benzothiazolium,3-ethyl-, iodide (1:1)
CAS No:3119-94-6
MF:C9H10INS
MW:291.151873111725
CID:319053
PubChem ID:10017139
Update Time:2025-04-19
Benzothiazolium,3-ethyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazolium,3-ethyl-, iodide (1:1)
- 3-ethyl-1,3-benzothiazol-3-ium,iodide
- 3-Aethyl-benzothiazolium, Jodid
- 3-ethylbenzothiazolinium iodide
- 3-Ethylbenzothiazolium iodide
- 3-ethyl-benzothiazolium, iodide
- 6304P
- Benzothiazol-ethoiodid
- Benzothiazolium ethiodide
- CTK8I1420
- N-ethylbenzothiazolium iodide
- N-Ethyl-benzothiazolium-iodid
- NSC126831
- SureCN3292667
- Benzothiazolium, 3-ethyl-, iodide
- NSC-126831
- 3-ethyl-1,3-benzothiazol-3-ium;iodide
- Benzothiazolium, 3-ethyl-, iodide (1:1)
- DTXSID60883952
- SCHEMBL3292667
- NS00046624
- 3-Ethylbenzo[d]thiazol-3-ium iodide
- 3119-94-6
- AKOS003623959
-
- Inchi： 1S/C9H10NS.HI/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1
- InChI Key： BUSBIZJDTNTELP-UHFFFAOYSA-M
- SMILES： [I-].S1C=[N+](CC)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 280.8792
- Monoisotopic Mass: 290.95787g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 138
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.1?2
Experimental Properties
- PSA: 3.88
Benzothiazolium,3-ethyl-, iodide (1:1) Related Literature
-
Isabel Kleinw?chter,Bernadette Mohr,Aljoscha Joppe,Nadja Hellmann,Tristan Bereau,Heinz D. Osiewacz,Dirk Schneider RSC Chem. Biol. 2022 3 941
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