Cas no 828254-49-5 (Pyridinium, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-1-(phenylmethyl)-, bromide)
828254-49-5 structure
Product Name:Pyridinium, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-1-(phenylmethyl)-, bromide
CAS No:828254-49-5
MF:C14H11BrClN3S
MW:368.67923951149
CID:682111
PubChem ID:71417069
Update Time:2025-04-19
Pyridinium, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-1-(phenylmethyl)-, bromide Chemical and Physical Properties
Names and Identifiers
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- Pyridinium, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-1-(phenylmethyl)-, bromide
- 3-(1-benzylpyridin-1-ium-3-yl)-4-chloro-1,2,5-thiadiazole,bromide
- 828254-49-5
- 1-Benzyl-3-(4-chloro-1,2,5-thiadiazol-3-yl)pyridin-1-ium bromide
- DTXSID50836417
-
- Inchi： 1S/C14H11ClN3S.BrH/c15-14-13(16-19-17-14)12-7-4-8-18(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2;1H/q+1;/p-1
- InChI Key： XOTNCVMJESIWLP-UHFFFAOYSA-M
- SMILES： [Br-].ClC1C(C2=CC=C[N+](=C2)CC2C=CC=CC=2)=NSN=1
Computed Properties
- Exact Mass: 366.95456g/mol
- Monoisotopic Mass: 366.95456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 286
- 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: 57.9?2
Pyridinium, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-1-(phenylmethyl)-, bromide Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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