Cas no 58668-51-2 (2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate)
58668-51-2 structure
Product Name:2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate
CAS No:58668-51-2
MF:C21H16N4O3S
MW:404.441742897034
CID:2833690
PubChem ID:21413318
Update Time:2025-04-21
2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate Chemical and Physical Properties
Names and Identifiers
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- 2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate
- DTXSID70613388
- SCHEMBL11724340
- 58668-51-2
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- Inchi: 1S/C21H16N4O3S/c26-19(22-14-7-3-1-4-8-14)25-20-24-17-12-11-16(13-18(17)29-20)28-21(27)23-15-9-5-2-6-10-15/h1-13H,(H,23,27)(H2,22,24,25,26)
- InChI Key: HJIVMEVMWYBVQI-UHFFFAOYSA-N
- SMILES: S1C(NC(NC2C=CC=CC=2)=O)=NC2C=CC(=CC1=2)OC(NC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 404.09431156Da
- Monoisotopic Mass: 404.09431156Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 566
- 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: 4.4
- Topological Polar Surface Area: 121?2
2-[(Phenylcarbamoyl)amino]-1,3-benzothiazol-6-yl phenylcarbamate Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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2. 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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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