Cas no 41167-78-6 (nonylthioacetic acid)
nonylthioacetic acid structure
Product Name:nonylthioacetic acid
CAS No:41167-78-6
MF:C11H22O2S
MW:218.356182575226
CID:926663
PubChem ID:3080801
Update Time:2025-04-19
nonylthioacetic acid Chemical and Physical Properties
Names and Identifiers
-
- nonylthioacetic acid
- Acetic acid, (nonylthio)-
- 3-thiadodecanoic acid
- DTXSID30961478
- SCHEMBL4354732
- 41167-78-6
- (NONYLSULFANYL)ACETIC ACID
-
- Inchi： 1S/C11H22O2S/c1-2-3-4-5-6-7-8-9-14-10-11(12)13/h2-10H2,1H3,(H,12,13)
- InChI Key： QEQRXSPASCWCFT-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)CCCCCCCCC
Computed Properties
- Exact Mass: 218.134
- Monoisotopic Mass: 218.134
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 137
- 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: 4.4
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- Density: 0.998
- Boiling Point: 328.5°C at 760 mmHg
- Flash Point: 152.5°C
- Refractive Index: 1.484
nonylthioacetic acid Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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