Cas no 124861-91-2 (Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide)
124861-91-2 structure
Product Name:Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide
CAS No:124861-91-2
MF:C15H17N5O6S2
MW:427.45538020134
CID:151057
PubChem ID:3079257
Update Time:2025-04-19
Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide
- methyl N-[4-[[[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
- DTXSID70154509
- Butanoic acid, 4-oxo-4-(2-thiazolylamino)-, 2-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)hydrazide
- BRN 4217621
- 124861-91-2
-
- Inchi: 1S/C15H17N5O6S2/c1-26-15(23)17-10-2-4-11(5-3-10)28(24,25)20-19-13(22)7-6-12(21)18-14-16-8-9-27-14/h2-5,8-9,20H,6-7H2,1H3,(H,17,23)(H,19,22)(H,16,18,21)
- InChI Key: XTJPQRUBEQTJDS-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)NC(=O)OC)(NNC(CCC(NC1=NC=CS1)=O)=O)(=O)=O
Computed Properties
- Exact Mass: 427.06221
- Monoisotopic Mass: 427.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 28
- Rotatable Bond Count: 9
- Complexity: 660
- 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: 0.1
- Topological Polar Surface Area: 192?2
Experimental Properties
- Density: 1.534
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.642
- PSA: 155.59
Butanoic acid,4-oxo-4-(2-thiazolylamino)-,2-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]hydrazide Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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