Cas no 89242-38-6 (3-Isoquinolinecarboxylic acid, 1-(2-thienyl)-)
89242-38-6 structure
Product Name:3-Isoquinolinecarboxylic acid, 1-(2-thienyl)-
CAS No:89242-38-6
MF:C14H9NO2S
MW:255.291762113571
CID:607105
PubChem ID:13272395
Update Time:2025-04-19
3-Isoquinolinecarboxylic acid, 1-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylic acid, 1-(2-thienyl)-
- 1-thiophen-2-ylisoquinoline-3-carboxylic acid
- 89242-38-6
- 1-(2-thienyl) isoquinoline 3-carboxylic acid
- ATBODLURBKBOFS-UHFFFAOYSA-N
- SCHEMBL10989480
- 1-(Thiophen-2-yl)isoquinoline-3-carboxylic acid
- DTXSID30533735
-
- Inchi： 1S/C14H9NO2S/c16-14(17)11-8-9-4-1-2-5-10(9)13(15-11)12-6-3-7-18-12/h1-8H,(H,16,17)
- InChI Key： ATBODLURBKBOFS-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C1C2C=CC=CC=2C=C(C(=O)O)N=1
Computed Properties
- Exact Mass: 255.03539970g/mol
- Monoisotopic Mass: 255.03539970g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 323
- 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: 3.3
- Topological Polar Surface Area: 78.4?2
3-Isoquinolinecarboxylic acid, 1-(2-thienyl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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