Cas no 56056-61-2 (Benzoic acid, 2-[[4-(dodecylthio)phenyl]thio]-)
![Benzoic acid, 2-[[4-(dodecylthio)phenyl]thio]- structure](https://ossimg.kuujia.com/scimg/56500/56056-61-2x500.png)
56056-61-2 structure
Product Name:Benzoic acid, 2-[[4-(dodecylthio)phenyl]thio]-
CAS No:56056-61-2
MF:C25H34O2S2
MW:430.666265010834
CID:349955
PubChem ID:71444878
Update Time:2025-04-19
Benzoic acid, 2-[[4-(dodecylthio)phenyl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-[[4-(dodecylthio)phenyl]thio]-
- 2-(4-dodecylsulfanylphenyl)sulfanylbenzoic acid
- DTXSID90853628
- 56056-61-2
- 2-{[4-(DODECYLSULFANYL)PHENYL]SULFANYL}BENZOIC ACID
-
- Inchi： 1S/C25H34O2S2/c1-2-3-4-5-6-7-8-9-10-13-20-28-21-16-18-22(19-17-21)29-24-15-12-11-14-23(24)25(26)27/h11-12,14-19H,2-10,13,20H2,1H3,(H,26,27)
- InChI Key： NIUXSQRZMIBTOM-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)SC1C=CC=CC=1C(=O)O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 430.20022
- Monoisotopic Mass: 430.20002267g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 15
- Complexity: 421
- 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: 9.6
- Topological Polar Surface Area: 87.9?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 2-[[4-(dodecylthio)phenyl]thio]- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
56056-61-2 (Benzoic acid, 2-[[4-(dodecylthio)phenyl]thio]-) Related Products
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