Cas no 106000-45-7 ([1,4,7,10,13,16]Hexaoxacyclooctadecino[2,3-f:11,12-f']bisbenzothiazole-2,14-diamine,6,7,9,10,18,19,21,22-octahydro- (9CI))
![[1,4,7,10,13,16]Hexaoxacyclooctadecino[2,3-f:11,12-f']bisbenzothiazole-2,14-diamine,6,7,9,10,18,19,21,22-octahydro- (9CI) structure](https://ossimg.kuujia.com/scimg/106500/106000-45-7x500.png)
106000-45-7 structure
Product Name:[1,4,7,10,13,16]Hexaoxacyclooctadecino[2,3-f:11,12-f']bisbenzothiazole-2,14-diamine,6,7,9,10,18,19,21,22-octahydro- (9CI)
CAS No:106000-45-7
MF:C22H24N4O6S2
MW:504.579162597656
CID:217417
PubChem ID:60066
Update Time:2025-04-19
[1,4,7,10,13,16]Hexaoxacyclooctadecino[2,3-f:11,12-f']bisbenzothiazole-2,14-diamine,6,7,9,10,18,19,21,22-octahydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,4,7,10,13,16]Hexaoxacyclooctadecino[2,3-f:11,12-f']bisbenzothiazole-2,14-diamine,6,7,9,10,18,19,21,22-octahydro- (9CI)
- BRN 4831402
- DTXSID80147462
- Cis-2,14-Diaminodibenzo[d]thiazolo(6,5-b
- 106000-45-7
- J-520064
- (1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-f:11,12-f')bisbenzothiazole-2,14-diamine, 6,7,9,10,18,19,21,22-octahydro-
- cis-2,14-Diaminodibenzothiazolo(6,5-b;6,5-k)-18-crown-6
-
- Inchi： 1S/C22H24N4O6S2/c23-21-25-13-9-15-17(11-19(13)33-21)32-8-4-28-2-6-30-16-10-14-20(34-22(24)26-14)12-18(16)31-7-3-27-1-5-29-15/h9-12H,1-8H2,(H2,23,25)(H2,24,26)
- InChI Key： XZYSFYOWJFAIRH-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2C=C3C(=CC1=2)OCCOCCOC1C=C2C(=CC=1OCCOCCO3)SC(N)=N2
Computed Properties
- Exact Mass: 504.11392
- Monoisotopic Mass: 504.11372685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 34
- Rotatable Bond Count: 0
- Complexity: 590
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 190?2
Experimental Properties
- PSA: 133.2
[1,4,7,10,13,16]Hexaoxacyclooctadecino[2,3-f:11,12-f']bisbenzothiazole-2,14-diamine,6,7,9,10,18,19,21,22-octahydro- (9CI) Related Literature
-
Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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