Cas no 97479-99-7 (Benzothiazole, 2,2'-dithiobis[5-methoxy-)
97479-99-7 structure
Product Name:Benzothiazole, 2,2'-dithiobis[5-methoxy-
CAS No:97479-99-7
MF:C16H12N2O2S4
MW:392.53867816925
CID:751045
PubChem ID:14509502
Update Time:2025-04-19
Benzothiazole, 2,2'-dithiobis[5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-methoxy-2-[(5-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
- 97479-99-7
- 2,2'-Disulfanediylbis(5-methoxy-1,3-benzothiazole)
- DTXSID90561110
- SCHEMBL6690265
- Benzothiazole, 2,2'-dithiobis[5-methoxy-
-
- Inchi： 1S/C16H12N2O2S4/c1-19-9-3-5-13-11(7-9)17-15(21-13)23-24-16-18-12-8-10(20-2)4-6-14(12)22-16/h3-8H,1-2H3
- InChI Key： QSOHSUYZXBNXBQ-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=C(C=CC1=2)OC)SSC1=NC2C=C(C=CC=2S1)OC
Computed Properties
- Exact Mass: 391.97816232g/mol
- Monoisotopic Mass: 391.97816232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 395
- 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: 5.5
- Topological Polar Surface Area: 151?2
Benzothiazole, 2,2'-dithiobis[5-methoxy- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Jason Wan Lab Chip, 2020,20, 4528-4538
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