Cas no 7597-67-3 (Methyl 2-(1-benzothiophen-3-yl)acetate)
7597-67-3 structure
Product Name:Methyl 2-(1-benzothiophen-3-yl)acetate
CAS No:7597-67-3
MF:C11H10O2S
MW:206.260901927948
CID:1776585
PubChem ID:238124
Update Time:2025-04-21
Methyl 2-(1-benzothiophen-3-yl)acetate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-(1-benzothiophen-3-yl)acetate
- benzo[b]thiophen-3-yl-acetic acid methyl ester
- methyl benzo[b]thiophene-3-acetate
- methyl 3-benzo<
- b>
- thienylacetate
- SureCN543646
- Methyl benzo[1,2,3]thiadiazole-7-carboxylate
- AC1L4572
- methyl benzo-1,2,3-thiadiazole-7-carboxylate
- benzo[1,2,3]thiadiazole-7-carboxylic acid methtyl ester
- Methyl 2-(benzo[b]thiophen-3-yl)acetate
- benzo[1,2,3]thiadiazole-7-carboxylic acid methyl ester
- benzo-1,2,3-thiadiazole-7-carboxylic acid methyl ester
- methyl benzo[b]thiophen-3-ylacetate
- Methyl-1,2,3-Benzothiadiazol-7-carboxylat
- methyl 1-benzothiophene-3-acetate
- benzo-1,2,3-thiadiazole-7-carboxylic acid met
- methyl 3-benzo< b> thienylacetate
- NSC-42319
- SCHEMBL1470493
- 7597-67-3
- ODKSYEYDLVKYNI-UHFFFAOYSA-N
- methyl benz[b]thiophen-3-ylacetate
- Methyl (1-benzothiophen-3-yl)acetate
- methyl benzothiophene-3-acetate
- DTXSID10997331
- DB-351758
- NSC42319
-
- Inchi： 1S/C11H10O2S/c1-13-11(12)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7H,6H2,1H3
- InChI Key： ODKSYEYDLVKYNI-UHFFFAOYSA-N
- SMILES： S1C=C(CC(=O)OC)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 206.0402
- Monoisotopic Mass: 206.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 217
- 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: 2.7
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
- LogP: 2.61680
Methyl 2-(1-benzothiophen-3-yl)acetate Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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