Cas no 2182-24-3 (2-(Hexadecylthio)benzoic acid)
2-(Hexadecylthio)benzoic acid structure
Product Name:2-(Hexadecylthio)benzoic acid
CAS No:2182-24-3
MF:C23H38O2S
MW:378.611626148224
CID:2656013
PubChem ID:586019
Update Time:2025-04-21
2-(Hexadecylthio)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2182-24-3
- BRIKRLUEFVZEQK-UHFFFAOYSA-N
- Benzoic acid, o-(hexadecylthio)-
- 2-(Hexadecylsulfanyl)benzoic acid #
- 2-(Hexadecylthio)benzoic acid
- AKOS024429513
- SCHEMBL9139729
-
- Inchi： 1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22-19-16-15-18-21(22)23(24)25/h15-16,18-19H,2-14,17,20H2,1H3,(H,24,25)
- InChI Key： BRIKRLUEFVZEQK-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)O)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 378.25925162Da
- Monoisotopic Mass: 378.25925162Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 17
- Complexity: 332
- 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: 9.7
- Topological Polar Surface Area: 62.6?2
2-(Hexadecylthio)benzoic acid Related Literature
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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