Cas no 35353-29-8 (1,4-Benzenediamine, N,N'-bis(2-benzothiazolyl)-)
35353-29-8 structure
Product Name:1,4-Benzenediamine, N,N'-bis(2-benzothiazolyl)-
CAS No:35353-29-8
MF:C20H14N4S2
MW:374.481960773468
CID:1470014
PubChem ID:14688874
Update Time:2025-04-20
1,4-Benzenediamine, N,N'-bis(2-benzothiazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediamine, N,N'-bis(2-benzothiazolyl)-
- 1-N,4-N-bis(1,3-benzothiazol-2-yl)benzene-1,4-diamine
- N~1~,N~4~-Bis(1,3-benzothiazol-2-yl)benzene-1,4-diamine
- 35353-29-8
- DTXSID30563017
-
- Inchi： 1S/C20H14N4S2/c1-3-7-17-15(5-1)23-19(25-17)21-13-9-11-14(12-10-13)22-20-24-16-6-2-4-8-18(16)26-20/h1-12H,(H,21,23)(H,22,24)
- InChI Key： MVRJCAMNERCQHK-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1NC1C=CC(=CC=1)NC1=NC2C=CC=CC=2S1
Computed Properties
- Exact Mass: 374.06622
- Monoisotopic Mass: 374.06598881g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 429
- 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: 6.6
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 49.84
1,4-Benzenediamine, N,N'-bis(2-benzothiazolyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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