200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1072946-06-5
1072946-06-5 | 3-(3-Ethylthioureido)phenylboronic acid
CAS No: 1072946-06-5 Catalog No: AG007ES8 MDL No:MFCD09972111
Product Description
Catalog Number:
AG007ES8
Chemical Name:
3-(3-Ethylthioureido)phenylboronic acid
CAS Number:
1072946-06-5
Molecular Formula:
C9H13BN2O2S
Molecular Weight:
224.0877
MDL Number:
MFCD09972111
IUPAC Name:
[3-(ethylcarbamothioylamino)phenyl]boronic acid
InChI:
InChI=1S/C9H13BN2O2S/c1-2-11-9(15)12-8-5-3-4-7(6-8)10(13)14/h3-6,13-14H,2H2,1H3,(H2,11,12,15)
InChI Key:
XBGBWHPPZYSGNM-UHFFFAOYSA-N
SMILES:
CCNC(=S)Nc1cccc(c1)B(O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.085g/mol
Monoisotopic Mass:
224.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.