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Home > Boronic Acids > 1172999-13-1
1172999-13-1 | 5-(Methylsulfanyl)thiophene-2-boronic acid pinacol ester
CAS No: 1172999-13-1 Catalog No: AG00HDX6 MDL No:MFCD16660065
Product Description
Catalog Number:
AG00HDX6
Chemical Name:
5-(Methylsulfanyl)thiophene-2-boronic acid pinacol ester
CAS Number:
1172999-13-1
Molecular Formula:
C11H17BO2S2
Molecular Weight:
256.1925
MDL Number:
MFCD16660065
IUPAC Name:
4,4,5,5-tetramethyl-2-(5-methylsulfanylthiophen-2-yl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C11H17BO2S2/c1-10(2)11(3,4)14-12(13-10)8-6-7-9(15-5)16-8/h6-7H,1-5H3
InChI Key:
ADUWWMSFVTWLQY-UHFFFAOYSA-N
SMILES:
CSc1ccc(s1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.185g/mol
Monoisotopic Mass:
256.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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