Cas no 944326-65-2 (3-Ethyl-4-isobutyl-5-methylthiophene-2-carboxylic acid)
944326-65-2 structure
Product Name:3-Ethyl-4-isobutyl-5-methylthiophene-2-carboxylic acid
CAS No:944326-65-2
MF:C12H18O2S
MW:226.335122585297
CID:2152243
Update Time:2023-08-05
3-Ethyl-4-isobutyl-5-methylthiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-ethyl-4-isobutyl-5-methylthiophene-2-carboxylic acid
- UAQHWASWAPBLQQ-UHFFFAOYSA-N
- 3-ethyl-4-isobutyl-5-methyl-thiophene-2-carboxylic acid
- 3-Ethyl-4-isobutyl-5-methylthiophene-2-carboxylic acid
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- Inchi： 1S/C12H18O2S/c1-5-9-10(6-7(2)3)8(4)15-11(9)12(13)14/h7H,5-6H2,1-4H3,(H,13,14)
- InChI Key： UAQHWASWAPBLQQ-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C(CC)C(=C1C)CC(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 228
- Topological Polar Surface Area: 65.5
3-Ethyl-4-isobutyl-5-methylthiophene-2-carboxylic acid Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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