Cas no 58537-61-4 (((1,1,3,3-Tetramethylbutyl)thio)acetic acid)
58537-61-4 structure
Product Name:((1,1,3,3-Tetramethylbutyl)thio)acetic acid
CAS No:58537-61-4
MF:C10H20O2S
MW:204.329602241516
CID:383146
PubChem ID:94101
Update Time:2025-04-19
((1,1,3,3-Tetramethylbutyl)thio)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- ((1,1,3,3-Tetramethylbutyl)thio)acetic acid
- [(1,1,3,3-tetramethylbutyl)thio]acetic acid
- 2-(2,4,4-trimethylpentan-2-ylsulfanyl)acetic acid
- [(2,4,4-trimethylpentan-2-yl)sulfanyl]acetic acid
- DTXSID20207256
- EINECS 261-318-5
- A22060
- 58537-61-4
- NS00033949
-
- Inchi： 1S/C10H20O2S/c1-9(2,3)7-10(4,5)13-6-8(11)12/h6-7H2,1-5H3,(H,11,12)
- InChI Key： GONLVZLZLHLBQY-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)C(C)(C)CC(C)(C)C
Computed Properties
- Exact Mass: 204.1185
- Monoisotopic Mass: 204.11840105g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 180
- 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: 3.2
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
((1,1,3,3-Tetramethylbutyl)thio)acetic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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3. 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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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