Cas no 945463-87-6 (3,5,5-Triethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid)
![3,5,5-Triethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid structure](https://ossimg.kuujia.com/scimg/945500/945463-87-6x500.png)
945463-87-6 structure
Product Name:3,5,5-Triethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
CAS No:945463-87-6
MF:C15H22O2S
MW:266.398983478546
CID:2141883
Update Time:2023-08-04
3,5,5-Triethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3,5,5-triethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
- CRWQIFSGBUWHAM-UHFFFAOYSA-N
- 3,5,5-Triethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
-
- Inchi： 1S/C15H22O2S/c1-4-12-11-9-15(5-2,6-3)8-7-10(11)13(18-12)14(16)17/h4-9H2,1-3H3,(H,16,17)
- InChI Key： CRWQIFSGBUWHAM-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=C2C(=C1CC)CC(CC)(CC)CC2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 312
- Topological Polar Surface Area: 65.5
3,5,5-Triethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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