| CAS Number | 923721-92-0 |
| Catalog Number | AG01A80J |
| Chemical Name | 2-(([5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl)sulfanyl)acetic acid |
| IUPAC Name | 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetic acid |
| InChI | InChI=1S/C10H9NO3S2/c12-10(13)6-15-5-7-4-8(14-11-7)9-2-1-3-16-9/h1-4H,5-6H2,(H,12,13) |
| InChI Key | VGLYOHJYYLANJP-UHFFFAOYSA-N |
| MDL Number | MFCD08445240 |
| Molecular Formula | C10H9NO3S2 |
| Molecular Weight | 255.3134 |
| SMILES | OC(CSCC1=NOC(C2SC=CC=2)=C1)=O |
| Synonyms | 2-({[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}sulfanyl)acetic acid,
923721-92-0,
[[(5-Thien-2-ylisoxazol-3-yl)methyl]thio]acetic acid,
{[(5-THIEN-2-YLISOXAZOL-3-YL)METHYL]THIO}ACETIC ACID,
AC1Q76GO,
CTK7J5901,
ZINC20285438,
AKOS009100343,
MCULE-5007756781,
NE47323,
EN300-60363,
2-((5-(thiophen-2-yl)isoxazol-3-yl)methylthio)acetic acid,
Acetic acid, 2-[[[5-(2-thienyl)-3-isoxazolyl]methyl]thio],
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.306g/mol |
| Monoisotopic Mass | 255.002g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number