Cas no 646511-46-8 (Pyridine, 2-[[(3-methoxyphenyl)methyl]thio]-)
![Pyridine, 2-[[(3-methoxyphenyl)methyl]thio]- structure](https://ossimg.kuujia.com/scimg/647000/646511-46-8x500.png)
646511-46-8 structure
Product Name:Pyridine, 2-[[(3-methoxyphenyl)methyl]thio]-
CAS No:646511-46-8
MF:C13H13NOS
MW:231.313421964645
CID:420249
PubChem ID:472967
Update Time:2025-04-19
Pyridine, 2-[[(3-methoxyphenyl)methyl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 2-[[(3-methoxyphenyl)methyl]thio]-
- 2-[(3-methoxyphenyl)methylsulfanyl]pyridine
- AKOS003354818
- 2-[(3-methoxybenzyl)sulfanyl]pyridine
- DTXSID20332936
- 2-(3-Methoxybenzylthio)-pyridine
- 646511-46-8
- 2-[(3-methoxybenzyl)thio]pyridine
-
- Inchi： 1S/C13H13NOS/c1-15-12-6-4-5-11(9-12)10-16-13-7-2-3-8-14-13/h2-9H,10H2,1H3
- InChI Key： IWUUDXIPCUTSLO-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CN=1)CC1C=CC=C(C=1)OC
Computed Properties
- Exact Mass: 231.07189
- Monoisotopic Mass: 231.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 200
- 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: 47.4?2
Experimental Properties
- PSA: 22.12
Pyridine, 2-[[(3-methoxyphenyl)methyl]thio]- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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