Cas no 905449-82-3 (4-methyl-4-(methylthio)Pentanoic acid)
905449-82-3 structure
Product Name:4-methyl-4-(methylthio)Pentanoic acid
CAS No:905449-82-3
MF:C7H14O2S
MW:162.249861240387
CID:2118622
Update Time:2023-11-18
4-methyl-4-(methylthio)Pentanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-4-(methylthio)Pentanoic acid
- Pentanoic acid, 4-methyl-4-(methylthio)-
- CID 90703066
- 4-Methyl-4-methylsulfanylpentanoic acid
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- Inchi： 1S/C7H14O2S/c1-7(2,10-3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
- InChI Key： WCBFRWFYDBJFNE-UHFFFAOYSA-N
- SMILES： S(C)C(C)(C)CCC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 121
- Topological Polar Surface Area: 62.6
4-methyl-4-(methylthio)Pentanoic acid Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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