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Home > Boronic Acids > 940284-18-4
940284-18-4 | 2-(Methylthio);-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidine
CAS No: 940284-18-4 Catalog No: AG005VUW MDL No:MFCD07781247
Product Description
Catalog Number:
AG005VUW
Chemical Name:
2-(Methylthio);-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidine
CAS Number:
940284-18-4
Molecular Formula:
C11H17BN2O2S
Molecular Weight:
252.1409
MDL Number:
MFCD07781247
IUPAC Name:
2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI:
InChI=1S/C11H17BN2O2S/c1-10(2)11(3,4)16-12(15-10)8-6-13-9(17-5)14-7-8/h6-7H,1-5H3
InChI Key:
AFKIHRZPPIRQCI-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.139g/mol
Monoisotopic Mass:
252.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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