| CAS Number | 893725-53-6 |
| Catalog Number | AG01A0O6 |
| Chemical Name | 2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}acetic acid |
| IUPAC Name | 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetic acid |
| InChI | InChI=1S/C14H15N3O3S/c18-12(19)9-21-14-13(17-5-7-20-8-6-17)15-10-3-1-2-4-11(10)16-14/h1-4H,5-9H2,(H,18,19) |
| InChI Key | AOYDTDGDJYBVTF-UHFFFAOYSA-N |
| MDL Number | MFCD07364252 |
| Molecular Formula | C14H15N3O3S |
| Molecular Weight | 305.3522 |
| SMILES | OC(CSC1=C(N2CCOCC2)N=C2C(C=CC=C2)=N1)=O |
| Synonyms | 2-{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}acetic acid,
893725-53-6,
2-((3-Morpholinoquinoxalin-2-yl)thio)acetic acid,
2-(3-morpholin-4-ylquinoxalin-2-ylthio)acetic acid,
SBB040544,
STL227772,
ZINC36724642,
AKOS000268759,
MCULE-2335933416,
NE51002,
ST099072,
(3-Morpholin-4-ylquinoxalin-2-ylsulfanyl)acetic acid,
Z1431321773,
{[3-(morpholin-4-yl)quinoxalin-2-yl]sulfanyl}acetic acid,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.352g/mol |
| Monoisotopic Mass | 305.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number