Cas no 80745-82-0 (Benzothiazole, 2,2'-dithiobis[4-methyl-)
80745-82-0 structure
Product Name:Benzothiazole, 2,2'-dithiobis[4-methyl-
CAS No:80745-82-0
MF:C16H12N2S4
MW:360.539877891541
CID:705098
PubChem ID:14830341
Update Time:2025-04-19
Benzothiazole, 2,2'-dithiobis[4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-2-[(4-methyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
- 80745-82-0
- SCHEMBL546016
- DTXSID90564469
- 2,2'-Disulfanediylbis(4-methyl-1,3-benzothiazole)
- Benzothiazole, 2,2'-dithiobis[4-methyl-
-
- Inchi： 1S/C16H12N2S4/c1-9-5-3-7-11-13(9)17-15(19-11)21-22-16-18-14-10(2)6-4-8-12(14)20-16/h3-8H,1-2H3
- InChI Key： SSQNKTBATJCFLF-UHFFFAOYSA-N
- SMILES： S1C(=NC2=C1C=CC=C2C)SSC1=NC2=C(C=CC=C2C)S1
Computed Properties
- Exact Mass: 359.98833309g/mol
- Monoisotopic Mass: 359.98833309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 360
- 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: 6.3
- Topological Polar Surface Area: 133?2
Benzothiazole, 2,2'-dithiobis[4-methyl- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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