200,000+ products from a single source!
sales@angenechem.com
115595-71-6 | 1,4-Oxathiin-2-carboxylic acid, 5,6-dihydro-
CAS No: 115595-71-6 Catalog No: AG000G7X MDL No:
Product Description
Catalog Number:
AG000G7X
Chemical Name:
1,4-Oxathiin-2-carboxylic acid, 5,6-dihydro-
CAS Number:
115595-71-6
Molecular Formula:
C5H6O3S
Molecular Weight:
146.1643
IUPAC Name:
2,3-dihydro-1,4-oxathiine-6-carboxylic acid
InChI:
InChI=1S/C5H6O3S/c6-5(7)4-3-9-2-1-8-4/h3H,1-2H2,(H,6,7)
InChI Key:
ZDMYDHIQFHUAPY-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CSCCO1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.16g/mol
Monoisotopic Mass:
146.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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.