Cas no 88220-22-8 (Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylmethyl)-)
![Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylmethyl)- structure](https://ossimg.kuujia.com/scimg/88500/88220-22-8x500.png)
88220-22-8 structure
Product Name:Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylmethyl)-
CAS No:88220-22-8
MF:C20H14O2S
MW:318.388964176178
CID:640874
PubChem ID:13128307
Update Time:2025-04-19
Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylmethyl)-
- 2-(benzo[e][1]benzothiol-2-ylmethyl)benzoic acid
- 2-[(Naphtho[2,1-b]thiophen-2-yl)methyl]benzoic acid
- 88220-22-8
- DTXSID80520231
-
- Inchi： 1S/C20H14O2S/c21-20(22)17-8-4-2-6-14(17)11-15-12-18-16-7-3-1-5-13(16)9-10-19(18)23-15/h1-10,12H,11H2,(H,21,22)
- InChI Key： YNDSBQPWMIOKJY-UHFFFAOYSA-N
- SMILES： S1C2C=CC3C=CC=CC=3C=2C=C1CC1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 318.07145086g/mol
- Monoisotopic Mass: 318.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 437
- 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: 5.7
- Topological Polar Surface Area: 65.5?2
Benzoic acid, 2-(naphtho[2,1-b]thien-2-ylmethyl)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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