200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 436855-68-4
436855-68-4 | 3-(1-ALLYL-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
CAS No: 436855-68-4 Catalog No: AG00D9EH MDL No:MFCD02855356
Product Description
Catalog Number:
AG00D9EH
Chemical Name:
3-(1-ALLYL-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
CAS Number:
436855-68-4
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD02855356
IUPAC Name:
3-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid
InChI:
InChI=1S/C9H12N2O3S/c1-2-5-11-8(14)6(10-9(11)15)3-4-7(12)13/h2,6H,1,3-5H2,(H,10,15)(H,12,13)
InChI Key:
RHUKJPGKFXOINC-UHFFFAOYSA-N
SMILES:
C=CCN1C(=S)NC(C1=O)CCC(=O)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.