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Home > Boronic Acids > 1072946-18-9
1072946-18-9 | 4-(3-Methylthioureido)phenylboronic acid
CAS No: 1072946-18-9 Catalog No: AG007WO6 MDL No:MFCD10699624
Product Description
Catalog Number:
AG007WO6
Chemical Name:
4-(3-Methylthioureido)phenylboronic acid
CAS Number:
1072946-18-9
Molecular Formula:
C8H11BN2O2S
Molecular Weight:
210.0611
MDL Number:
MFCD10699624
IUPAC Name:
[4-(methylcarbamothioylamino)phenyl]boronic acid
InChI:
InChI=1S/C8H11BN2O2S/c1-10-8(14)11-7-4-2-6(3-5-7)9(12)13/h2-5,12-13H,1H3,(H2,10,11,14)
InChI Key:
AWHSCCURKGKPHK-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ccc(cc1)B(O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
210.058g/mol
Monoisotopic Mass:
210.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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