Cas no 2241867-01-4 ((4-((methyl-d3)thio)phenyl)boronic acid)
2241867-01-4 structure
Product Name:(4-((methyl-d3)thio)phenyl)boronic acid
CAS No:2241867-01-4
MF:C7H9BO2S
MW:171.039645910263
CID:6815898
PubChem ID:45788886
Update Time:2025-03-03
(4-((methyl-d3)thio)phenyl)boronic acid Chemical and Physical Properties
Names and Identifiers
-
- (4-((methyl-d3)thio)phenyl)boronic acid
- 4-(Methylthiol-d3)-phenylboronic acid
- F92678
- 2241867-01-4
- AKOS015944037
- CS-19083
-
- Inchi： 1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3/i1D3
- InChI Key： IVUHTLFKBDDICS-FIBGUPNXSA-N
- SMILES： S(C([2H])([2H])[2H])C1C=CC(B(O)O)=CC=1
Computed Properties
- Exact Mass: 171.0604611Da
- Monoisotopic Mass: 171.0604611Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 113
- 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: 65.8?2
(4-((methyl-d3)thio)phenyl)boronic acid Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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