Cas no 102175-98-4 (4-Methyl-5-thiazolylethanyl octanoate)
102175-98-4 structure
Product Name:4-Methyl-5-thiazolylethanyl octanoate
CAS No:102175-98-4
MF:C18H31NO2S
MW:325.509244203568
CID:62284
PubChem ID:122130534
Update Time:2025-04-18
4-Methyl-5-thiazolylethanyl octanoate Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-5-thiazolylethanyl octanoate
- Lauricacid, 2-(4-methyl-5-thiazolyl)ethyl ester (6CI)
- 4-Methyl-5-thiazolylethanyloctanoate
- 102175-98-4
- Dodecanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
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- Inchi： 1S/C18H31NO2S/c1-3-4-5-6-7-8-9-10-11-12-18(20)21-14-13-17-16(2)19-15-22-17/h15H,3-14H2,1-2H3
- InChI Key： LHCPRRNPAVNVRX-UHFFFAOYSA-N
- SMILES： S1C=NC(C)=C1CCOC(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 269.14500
- Monoisotopic Mass: 325.20755041g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 236
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- Density: 1.035
- Flash Point: >110 oC
- Refractive Index: 1.486-1.496
- PSA: 67.43000
- LogP: 3.89770
4-Methyl-5-thiazolylethanyl octanoate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
102175-98-4 (4-Methyl-5-thiazolylethanyl octanoate) Related Products
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