Cas no 910635-54-0 (Benzo[c]thiophene-1-carboxylic acid, 5,5-diethyl-4,5,6,7-tetrahydro-)
![Benzo[c]thiophene-1-carboxylic acid, 5,5-diethyl-4,5,6,7-tetrahydro- structure](https://ossimg.kuujia.com/scimg/911000/910635-54-0x500.png)
910635-54-0 structure
Product Name:Benzo[c]thiophene-1-carboxylic acid, 5,5-diethyl-4,5,6,7-tetrahydro-
CAS No:910635-54-0
MF:C13H18O2S
MW:238.345822811127
CID:1967509
PubChem ID:57508891
Update Time:2025-04-21
Benzo[c]thiophene-1-carboxylic acid, 5,5-diethyl-4,5,6,7-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[c]thiophene-1-carboxylic acid, 5,5-diethyl-4,5,6,7-tetrahydro-
- 5,5-diethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
- SCHEMBL1860995
- 910635-54-0
- OAPDVGOWBVNNOL-UHFFFAOYSA-N
- DB-340586
-
- Inchi： 1S/C13H18O2S/c1-3-13(4-2)6-5-10-9(7-13)8-16-11(10)12(14)15/h8H,3-7H2,1-2H3,(H,14,15)
- InChI Key： OAPDVGOWBVNNOL-UHFFFAOYSA-N
- SMILES： S1C=C2C(=C1C(=O)O)CCC(CC)(CC)C2
Computed Properties
- Exact Mass: 238.10275099Da
- Monoisotopic Mass: 238.10275099Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 273
- 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: 4.6
- Topological Polar Surface Area: 65.5?2
Benzo[c]thiophene-1-carboxylic acid, 5,5-diethyl-4,5,6,7-tetrahydro- Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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