Cas no 100333-42-4 (2,1,3-Benzothiadiazole-2-SIV-5-methanamine,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI))
100333-42-4 structure
Product Name:2,1,3-Benzothiadiazole-2-SIV-5-methanamine,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI)
CAS No:100333-42-4
MF:C18H20N6S4
MW:448.65159702301
CID:187799
PubChem ID:3063271
Update Time:2025-04-19
2,1,3-Benzothiadiazole-2-SIV-5-methanamine,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,1,3-Benzothiadiazole-2-SIV-5-methanamine,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI)
- N-(8λ<sup>4</sup>-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-4-ylmethyl)-2-[2-(8λ<sup>4</sup>-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-4-ylmethylamino)ethyldisulfanyl]ethanamin
- N,N'-(Dithiobisethylene)bis(2,1,3-benzothiadiazole-SIV-5-methanamine)
- 2,1,3-Benzothia(S(sup IV))diazole-5-methylamine, N,N'-dithiobis(ethylene)bis-
- 5,5'-(5,6-dithia-2,9-diaza-decane-1,10-diyl)-bis-benzo[1,2,5]thiadiazole
- AC1MI5CS
- BRN 0585697
- LS-40484
- N,N'-bis-benzo[1,2,5]thiadiazol-5-ylmethyl-3,4-dithia-hexane-1,6-diamine
- N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-5-methylamine)
- 100333-42-4
- DTXSID70143175
-
- Inchi： 1S/C18H20N6S4/c1-3-15-17(23-27-21-15)9-13(1)11-19-5-7-25-26-8-6-20-12-14-2-4-16-18(10-14)24-28-22-16/h1-4,9-10,19-20H,5-8,11-12H2
- InChI Key： FRVHICFKYKRCJF-UHFFFAOYSA-N
- SMILES： S(CCNCC1C=CC2C(C=1)=NSN=2)SCCNCC1C=CC2C(C=1)=NSN=2
Computed Properties
- Exact Mass: 448.0636
- Monoisotopic Mass: 448.06322936g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 28
- Rotatable Bond Count: 11
- Complexity: 422
- 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: 2.8
- Topological Polar Surface Area: 183?2
Experimental Properties
- PSA: 73.5
2,1,3-Benzothiadiazole-2-SIV-5-methanamine,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI) Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
100333-42-4 (2,1,3-Benzothiadiazole-2-SIV-5-methanamine,N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI)) Related Products
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