Cas no 78349-00-5 (4-[(2-Methyl-1,3-dithian-2-yl)methyl]phenol)
![4-[(2-Methyl-1,3-dithian-2-yl)methyl]phenol structure](https://ossimg.kuujia.com/scimg/78500/78349-00-5x500.png)
78349-00-5 structure
Product Name:4-[(2-Methyl-1,3-dithian-2-yl)methyl]phenol
CAS No:78349-00-5
MF:C12H16OS2
MW:240.384840965271
CID:4736186
Update Time:2023-08-16
4-[(2-Methyl-1,3-dithian-2-yl)methyl]phenol Chemical and Physical Properties
Names and Identifiers
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- 2-(4a-hydroxybenzyl)-2-methyl-1,3-dithiane
- 4-[(2-Methyl-1,3-dithian-2-yl)methyl]phenol
-
- Inchi： 1S/C12H16OS2/c1-12(14-7-2-8-15-12)9-10-3-5-11(13)6-4-10/h3-6,13H,2,7-9H2,1H3
- InChI Key： MBKRNEFCCZFHIO-UHFFFAOYSA-N
- SMILES： S1CCCSC1(C)CC1C=CC(=CC=1)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 194
- Topological Polar Surface Area: 70.8
4-[(2-Methyl-1,3-dithian-2-yl)methyl]phenol Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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