Cas no 69031-86-3 (1-(4-methylphenyl)sulfonylpyridin-1-ium;chloride)
69031-86-3 structure
Product Name:1-(4-methylphenyl)sulfonylpyridin-1-ium;chloride
CAS No:69031-86-3
MF:C12H12ClNO2S
MW:269.747180938721
CID:972958
PubChem ID:24194112
Update Time:2025-04-19
1-(4-methylphenyl)sulfonylpyridin-1-ium;chloride Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-methylphenyl)sulfonylpyridin-1-ium,chloride
- 1-(4-methylphenyl)sulfonylpyridin-1-ium
- chloride
- NSC163786
- NSC-163786
- tosylpyridinium chloride
- 1-(4-Methylbenzene-1-sulfonyl)pyridin-1-ium chloride
- 69031-86-3
- DTXSID20638445
- 1-(4-methylphenyl)sulfonylpyridin-1-ium;chloride
-
- Inchi： 1S/C12H12NO2S.ClH/c1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13;/h2-10H,1H3;1H/q+1;/p-1
- InChI Key： REVVIXORPMPBHM-UHFFFAOYSA-M
- SMILES： [Cl-].S(C1C=CC(C)=CC=1)([N+]1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 234.05896
- Monoisotopic Mass: 269.0277275g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 306
- 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: 46.4?2
Experimental Properties
- PSA: 38.02
- LogP: -0.39570
1-(4-methylphenyl)sulfonylpyridin-1-ium;chloride Related Literature
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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