Cas no 64227-79-8 (Benzothiazolium, 3-butyl-, iodide)
64227-79-8 structure
Product Name:Benzothiazolium, 3-butyl-, iodide
CAS No:64227-79-8
MF:C11H14INS
MW:319.205033779144
CID:424531
PubChem ID:12375849
Update Time:2025-04-19
Benzothiazolium, 3-butyl-, iodide Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazolium, 3-butyl-, iodide
- 3-butyl-1,3-benzothiazol-3-ium,iodide
- 3-butylbenzo[d]thiazol-3-iuM iodide
- LogP
- SCHEMBL22320983
- DTXSID80495091
- 3-Butyl-1,3-benzothiazol-3-ium iodide
- 64227-79-8
- 3-butyl-1,3-benzothiazol-3-ium;iodide
-
- Inchi： 1S/C11H14NS.HI/c1-2-3-8-12-9-13-11-7-5-4-6-10(11)12;/h4-7,9H,2-3,8H2,1H3;1H/q+1;/p-1
- InChI Key： KQJPKSWLICESEG-UHFFFAOYSA-M
- SMILES： [I-].S1C=[N+](C2C=CC=CC1=2)CCCC
Computed Properties
- Exact Mass: 304.8792
- Monoisotopic Mass: 318.98917g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 160
- 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
- Melting Point: 116.3 °C
- PSA: 3.88
Benzothiazolium, 3-butyl-, iodide Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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