Cas no 1204763-25-6 ((3,4,5-trimethylthiophen-2-yl)boronic acid)
1204763-25-6 structure
Product Name:(3,4,5-trimethylthiophen-2-yl)boronic acid
CAS No:1204763-25-6
MF:C7H11BO2S
MW:170.037040948868
CID:2617170
PubChem ID:57416369
Update Time:2025-04-21
(3,4,5-trimethylthiophen-2-yl)boronic acid Chemical and Physical Properties
Names and Identifiers
-
- (3,4,5-trimethylthiophen-2-yl)boronic acid
- 1204763-25-6
- AT33036
- DTXSID90726045
-
- Inchi: 1S/C7H11BO2S/c1-4-5(2)7(8(9)10)11-6(4)3/h9-10H,1-3H3
- InChI Key: ZQDRMSUWEZWSRS-UHFFFAOYSA-N
- SMILES: S1C(B(O)O)=C(C)C(C)=C1C
Computed Properties
- Exact Mass: 170.0572809Da
- Monoisotopic Mass: 170.0572809Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 142
- 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
- Topological Polar Surface Area: 68.7?2
(3,4,5-trimethylthiophen-2-yl)boronic acid Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
1204763-25-6 ((3,4,5-trimethylthiophen-2-yl)boronic acid) Related Products
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