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1073354-78-5 | 2-(Methylthio)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS No: 1073354-78-5 Catalog No: AG003HQM MDL No:MFCD09037492
Product Description
Catalog Number:
AG003HQM
Chemical Name:
2-(Methylthio)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS Number:
1073354-78-5
Molecular Formula:
C12H18BNO2S
Molecular Weight:
251.1528
MDL Number:
MFCD09037492
IUPAC Name:
2-methylsulfanyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C12H18BNO2S/c1-11(2)12(3,4)16-13(15-11)9-7-6-8-14-10(9)17-5/h6-8H,1-5H3
InChI Key:
LZOBOHRLTCNJHH-UHFFFAOYSA-N
SMILES:
CSc1ncccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.151g/mol
Monoisotopic Mass:
251.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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