Cas no 2225-22-1 (1,6-Bis(p-tolylsulfonylthio)hexane)
2225-22-1 structure
Product Name:1,6-Bis(p-tolylsulfonylthio)hexane
CAS No:2225-22-1
MF:C20H26O4S4
MW:458.678040981293
CID:237951
Update Time:2023-08-03
1,6-Bis(p-tolylsulfonylthio)hexane Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonothioic acid, 4-methyl-, S,S'-1,6-hexanediyl ester
- S,S'-Hexamethylene bis(p-toluenethiosulfonate)
- OIEFCARHHYDWCL-UHFFFAOYSA-N
- 1,6-Bis(p-tolylsulfonylthio)hexane
- S-(6-([(4-Methylphenyl)(dioxido)sulfanyl]sulfanyl)hexyl) 4-methylbenzenesulfonothioate #
-
- Inchi： 1S/C20H26O4S4/c1-17-7-11-19(12-8-17)27(21,22)25-15-5-3-4-6-16-26-28(23,24)20-13-9-18(2)10-14-20/h7-14H,3-6,15-16H2,1-2H3
- InChI Key： OIEFCARHHYDWCL-UHFFFAOYSA-N
- SMILES： S(CCCCCCSS(C1C=CC(C)=CC=1)(=O)=O)S(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 11
- Complexity: 575
- Topological Polar Surface Area: 136
1,6-Bis(p-tolylsulfonylthio)hexane Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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