Cas no 14372-67-9 (Thiocyanic acid,3-methoxyphenyl ester)
14372-67-9 structure
Product Name:Thiocyanic acid,3-methoxyphenyl ester
CAS No:14372-67-9
MF:C8H7NOS
MW:165.212280511856
CID:174554
PubChem ID:3014831
Update Time:2025-04-19
Thiocyanic acid,3-methoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid,3-methoxyphenyl ester
- (3-methoxyphenyl) thiocyanate
- 1-Methoxy-3-rhodan-benzol
- 3-methoxy-phenyl thiocyanate
- 3-Methoxyphenyl thiocyanate
- 3-Methoxy-phenylthiocyanat
- AC1MI07K
- AG-D-86478
- CTK4C3780
- m-Methoxyphenyl thiocyanate
- Thiocyanic acid, m-methoxyphenyl ester
- Thiocyanic acid, 3-methoxyphenyl ester
- SCHEMBL17378573
- DTXSID30162529
- 14372-67-9
-
- Inchi： 1S/C8H7NOS/c1-10-7-3-2-4-8(5-7)11-6-9/h2-5H,1H3
- InChI Key： ADKQMKHKLPZXNN-UHFFFAOYSA-N
- SMILES： S(C#N)C1=CC=CC(=C1)OC
Computed Properties
- Exact Mass: 165.024835
- Monoisotopic Mass: 165.024835
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 163
- 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
- Topological Polar Surface Area: 58.3
- XLogP3: 2.5
Experimental Properties
- Density: 1.2
- Boiling Point: 272.1°Cat760mmHg
- Flash Point: 118.4°C
- Refractive Index: 1.583
Thiocyanic acid,3-methoxyphenyl ester Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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