Cas no 5677-17-8 (1,4-Benzenediamine, N-2-benzothiazolyl-)
5677-17-8 structure
Product Name:1,4-Benzenediamine, N-2-benzothiazolyl-
CAS No:5677-17-8
MF:C13H11N3S
MW:241.311540842056
CID:335683
PubChem ID:2754712
Update Time:2025-04-19
1,4-Benzenediamine, N-2-benzothiazolyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediamine, N-2-benzothiazolyl-
- 4-N-(1,3-benzothiazol-2-yl)benzene-1,4-diamine
- SCHEMBL20380313
- AKOS000185907
- 5677-17-8
- DTXSID20373046
-
- Inchi： 1S/C13H11N3S/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,14H2,(H,15,16)
- InChI Key： JSUWBBQTCBPTNM-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=CC=CC1=2)NC1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 241.06736854g/mol
- Monoisotopic Mass: 241.06736854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 253
- 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: 3.4
- Topological Polar Surface Area: 79.2?2
1,4-Benzenediamine, N-2-benzothiazolyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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