Cas no 100282-85-7 (Benzonitrile, 4-(4-chloro-1,2,5-thiadiazol-3-yl)-)
100282-85-7 structure
Product Name:Benzonitrile, 4-(4-chloro-1,2,5-thiadiazol-3-yl)-
CAS No:100282-85-7
MF:C9H4ClN3S
MW:221.666158676147
CID:3548081
PubChem ID:13537730
Update Time:2025-04-22
Benzonitrile, 4-(4-chloro-1,2,5-thiadiazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(4-chloro-1,2,5-thiadiazol-3-yl)-
- 100282-85-7
- 4-(4-chloro-1,2,5-thiadiazol-3-yl)benzonitrile
- SCHEMBL16093803
- DB-152615
-
- Inchi： 1S/C9H4ClN3S/c10-9-8(12-14-13-9)7-3-1-6(5-11)2-4-7/h1-4H
- InChI Key： VWGRDNCUDZGAKO-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC=C(C2C(Cl)=NSN=2)C=C1
Computed Properties
- Exact Mass: 220.9814460Da
- Monoisotopic Mass: 220.9814460Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 2.7
- Topological Polar Surface Area: 77.8?2
Benzonitrile, 4-(4-chloro-1,2,5-thiadiazol-3-yl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
100282-85-7 (Benzonitrile, 4-(4-chloro-1,2,5-thiadiazol-3-yl)-) Related Products
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