200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 125177-38-0
125177-38-0 | Boronic acid, B-(1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinyl)-
CAS No: 125177-38-0 Catalog No: AG000NAP MDL No:MFCD18382984
Product Description
Catalog Number:
AG000NAP
Chemical Name:
Boronic acid, B-(1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinyl)-
CAS Number:
125177-38-0
Molecular Formula:
C4H5BN2O3S
Molecular Weight:
171.9701
MDL Number:
MFCD18382984
IUPAC Name:
(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C4H5BN2O3S/c8-3-2(5(9)10)1-6-4(11)7-3/h1,9-10H,(H2,6,7,8,11)
InChI Key:
IYECIXPSVBLTTP-UHFFFAOYSA-N
SMILES:
OB(c1c[nH]c(=S)[nH]c1=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
171.965g/mol
Monoisotopic Mass:
172.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.