Cas no 2304634-77-1 (4,6-Dimethyl-2-(phenylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine)
2304634-77-1 structure
Product Name:4,6-Dimethyl-2-(phenylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS No:2304634-77-1
MF:C18H23BN2O2S
MW:342.263423204422
CID:5744918
PubChem ID:122360577
Update Time:2023-11-11
4,6-Dimethyl-2-(phenylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- starbld0000027
- 4,6-Dimethyl-2-(phenylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
- E10247
- 2304634-77-1
- Pyrimidine, 4,6-dimethyl-2-(phenylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
-
- Inchi： 1S/C18H23BN2O2S/c1-12-15(19-22-17(3,4)18(5,6)23-19)13(2)21-16(20-12)24-14-10-8-7-9-11-14/h7-11H,1-6H3
- InChI Key： RYOXLDXCIDGKKJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1=NC(C)=C(B2OC(C)(C)C(C)(C)O2)C(C)=N1
Computed Properties
- Exact Mass: 342.1573293g/mol
- Monoisotopic Mass: 342.1573293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 415
- 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: 69.5?2
Experimental Properties
- Density: 1.15±0.1 g/cm3(Predicted)
- Boiling Point: 508.7±60.0 °C(Predicted)
- pka: 2.07±0.39(Predicted)
4,6-Dimethyl-2-(phenylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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