Cas no 93963-17-8 (Piperazine,1,4-bis(2-benzothiazolylthio)- (9CI))
93963-17-8 structure
Product Name:Piperazine,1,4-bis(2-benzothiazolylthio)- (9CI)
CAS No:93963-17-8
MF:C18H16N4S4
MW:416.606437683105
CID:811358
PubChem ID:44152246
Update Time:2025-04-19
Piperazine,1,4-bis(2-benzothiazolylthio)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazine,1,4-bis(2-benzothiazolylthio)- (9CI)
- 2,2'-[piperazine-1,4-diylbis(thio)]bisbenzothiazole
- 2-[4-(1,3-benzothiazol-2-ylsulfanyl)piperazin-1-yl]sulfanyl-1,3-benzothiazole
- 2,2'-(Piperazine-1,4-diyldisulfanediyl)bis(1,3-benzothiazole)
- EINECS 300-758-5
- NS00064956
- 93963-17-8
- 2,2'-(Piperazine-1,4-diylbis(thio))bisbenzothiazole
- SCHEMBL7937684
- DTXSID40916873
-
- Inchi： 1S/C18H16N4S4/c1-3-7-15-13(5-1)19-17(23-15)25-21-9-11-22(12-10-21)26-18-20-14-6-2-4-8-16(14)24-18/h1-8H,9-12H2
- InChI Key： ZPRKIYGGPADCPK-UHFFFAOYSA-N
- SMILES： S(C1=NC2C=CC=CC=2S1)N1CCN(CC1)SC1=NC2C=CC=CC=2S1
Computed Properties
- Exact Mass: 416.02578122g/mol
- Monoisotopic Mass: 416.02578122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 434
- 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: 5.6
- Topological Polar Surface Area: 139?2
Piperazine,1,4-bis(2-benzothiazolylthio)- (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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