Cas no 56666-77-4 (3-Phenyl-1,2,3-oxadiazol-3-ium-5-thiolate)
56666-77-4 structure
Product Name:3-Phenyl-1,2,3-oxadiazol-3-ium-5-thiolate
CAS No:56666-77-4
MF:C8H6N2OS
MW:178.211040019989
CID:945760
PubChem ID:552131
Update Time:2025-04-19
3-Phenyl-1,2,3-oxadiazol-3-ium-5-thiolate Chemical and Physical Properties
Names and Identifiers
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- 3-Phenyl-1,2,3-oxadiazol-3-ium-5-thiolate
- 3-phenyloxadiazol-3-ium-5-thiolate
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- Inchi： 1S/C8H6N2OS/c12-8-6-10(9-11-8)7-4-2-1-3-5-7/h1-6H
- InChI Key： KXNAEWAALYCLTQ-UHFFFAOYSA-N
- SMILES： [S-]C1=C[N+](C2C=CC=CC=2)=NO1
Computed Properties
- Exact Mass: 178.02008399g/mol
- Monoisotopic Mass: 178.02008399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 150
- 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: 30.9?2
3-Phenyl-1,2,3-oxadiazol-3-ium-5-thiolate Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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