Cas no 938-38-5 (1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one)
938-38-5 structure
Product Name:1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one
1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Isoquinolinone,1,4-dihydro-1-thioxo-
- Thiohomophtalimide
- 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one
- 3(2H)-Isoquinolinone, 1,4-dihydro-1-thioxo-
- 1-thioxo-4H-isoquinolin-3-one
- OTNUPRBQDWRFGJ-UHFFFAOYSA-N
- 1-thioxo-1,4-dihydro-3(2H)-isoquinolinone
-
- Inchi： 1S/C9H7NOS/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
- InChI Key： OTNUPRBQDWRFGJ-UHFFFAOYSA-N
- SMILES： S=C1C2C=CC=CC=2CC(N1)=O
Computed Properties
- Exact Mass: 177.025
- Monoisotopic Mass: 177.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 227
- 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
- Topological Polar Surface Area: 61.2
- XLogP3: 1.3
1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one Related Literature
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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