Cas no 154629-67-1 (methyl 4-ethynyl-1-benzothiophene-2-carboxylate)
154629-67-1 structure
Product Name:methyl 4-ethynyl-1-benzothiophene-2-carboxylate
CAS No:154629-67-1
MF:C12H8O2S
MW:216.255722045898
CID:1329212
Update Time:2024-08-18
methyl 4-ethynyl-1-benzothiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 4-ethynyl-1-benzothiophene-2-carboxylate
- Methyl-4-ethinyl-1-benzothiophen-2-carboxylat
- LogP
- Methyl-4-ethinyl-1-benzothiophen-2-carboxylat; LogP
- Benzo[b]thiophene-2-carboxylic acid, 4-ethynyl-, methyl ester
- Methyl 4-ethynylbenzo[b]thiophene-2-carboxylate
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- Inchi： 1S/C12H8O2S/c1-3-8-5-4-6-10-9(8)7-11(15-10)12(13)14-2/h1,4-7H,2H3
- InChI Key： NKGNIUGRYFZDIL-UHFFFAOYSA-N
- SMILES： C12=CC=CC(C#C)=C1C=C(C(OC)=O)S2
Computed Properties
- Exact Mass: 216.02454
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- Boiling Point: 347.0±22.0 °C(Predicted)
- PSA: 26.3
methyl 4-ethynyl-1-benzothiophene-2-carboxylate Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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