Cas no 89636-09-9 (2-Pentenoic acid, 2-(methylthio)-4-oxo-)
89636-09-9 structure
Product Name:2-Pentenoic acid, 2-(methylthio)-4-oxo-
CAS No:89636-09-9
MF:C6H8O3S
MW:160.190920829773
CID:593842
PubChem ID:71325336
Update Time:2025-04-19
2-Pentenoic acid, 2-(methylthio)-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenoic acid, 2-(methylthio)-4-oxo-
- 2-methylsulfanyl-4-oxopent-2-enoic acid
- 2-(Methylsulfanyl)-4-oxopent-2-enoic acid
- 89636-09-9
- DTXSID40754696
-
- Inchi： 1S/C6H8O3S/c1-4(7)3-5(10-2)6(8)9/h3H,1-2H3,(H,8,9)
- InChI Key： FTGNQODQMAEAHD-UHFFFAOYSA-N
- SMILES： S(C)C(C(=O)O)=CC(C)=O
Computed Properties
- Exact Mass: 160.01941529g/mol
- Monoisotopic Mass: 160.01941529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.4
- Topological Polar Surface Area: 79.7?2
2-Pentenoic acid, 2-(methylthio)-4-oxo- Related Literature
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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