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Home > Boronic Acids > 1073353-86-2
1073353-86-2 | 1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiourea
CAS No: 1073353-86-2 Catalog No: AG0084VU MDL No:MFCD09972181
Product Description
Catalog Number:
AG0084VU
Chemical Name:
1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiourea
CAS Number:
1073353-86-2
Molecular Formula:
C15H23BN2O2S
Molecular Weight:
306.2313
MDL Number:
MFCD09972181
IUPAC Name:
1-ethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiourea
InChI:
InChI=1S/C15H23BN2O2S/c1-6-17-13(21)18-12-9-7-11(8-10-12)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3,(H2,17,18,21)
InChI Key:
ICZDTXPDQCXIJM-UHFFFAOYSA-N
SMILES:
CCNC(=S)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.231g/mol
Monoisotopic Mass:
306.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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