200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1072946-07-6
1072946-07-6 | 3-(3-Isopropylthioureido)phenylboronic acid
CAS No: 1072946-07-6 Catalog No: AG0090FK MDL No:MFCD09972112
Product Description
Catalog Number:
AG0090FK
Chemical Name:
3-(3-Isopropylthioureido)phenylboronic acid
CAS Number:
1072946-07-6
Molecular Formula:
C10H15BN2O2S
Molecular Weight:
238.1143
MDL Number:
MFCD09972112
IUPAC Name:
[3-(propan-2-ylcarbamothioylamino)phenyl]boronic acid
InChI:
InChI=1S/C10H15BN2O2S/c1-7(2)12-10(16)13-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H2,12,13,16)
InChI Key:
XUTHANAUPCKWGR-UHFFFAOYSA-N
SMILES:
CC(NC(=S)Nc1cccc(c1)B(O)O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
238.112g/mol
Monoisotopic Mass:
238.095g/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.