Cas no 1263098-97-0 (5-(3,3-dimethyl-but-1-ynyl)-3-iodo-thiophene-2-carboxylic acid methyl ester)
1263098-97-0 structure
Product Name:5-(3,3-dimethyl-but-1-ynyl)-3-iodo-thiophene-2-carboxylic acid methyl ester
CAS No:1263098-97-0
MF:C12H13IO2S
MW:348.199894666672
CID:2144325
PubChem ID:58113936
Update Time:2024-11-06
5-(3,3-dimethyl-but-1-ynyl)-3-iodo-thiophene-2-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-(3,3-dimethyl-but-1-ynyl)-3-iodo-thiophene-2-carboxylic acid methyl ester
- Methyl 5-(3,3-dimethyl-1-butyn-1-yl)-3-iodo-2-thiophenecarboxylate
- Methyl 5-(3,3-dimethylbut-1-yn-1-yl)-3-iodothiophene-2-carboxylate
- DB-306161
- QHXNSBFQGFQEGI-UHFFFAOYSA-N
- methyl 5-(3,3-dimethylbut-1-ynyl)-3-iodo-thiophene-2-carboxylate
- 1263098-97-0
- SCHEMBL325928
- 5-(3,3-dimethyl-but-1ynyl)-3-iodo-thiophene-2-carboxylic acid methyl ester
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- Inchi： 1S/C12H13IO2S/c1-12(2,3)6-5-8-7-9(13)10(16-8)11(14)15-4/h7H,1-4H3
- InChI Key： QHXNSBFQGFQEGI-UHFFFAOYSA-N
- SMILES： C1(C(OC)=O)SC(C#CC(C)(C)C)=CC=1I
Computed Properties
- Exact Mass: 347.96810g/mol
- Monoisotopic Mass: 347.96810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 334
- 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: 4.5
- Topological Polar Surface Area: 54.5?2
5-(3,3-dimethyl-but-1-ynyl)-3-iodo-thiophene-2-carboxylic acid methyl ester Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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