| CAS Number | 926202-64-4 |
| Catalog Number | AG019LDH(AGN-PC-0WOSIP) |
| Chemical Name | 2-[N-methyl-1-(thiophen-2-yl)formamido]acetic acid |
| IUPAC Name | 2-[methyl(thiophene-2-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C8H9NO3S/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11) |
| InChI Key | NRJFXOJRCYPZOT-UHFFFAOYSA-N |
| MDL Number | MFCD09047497 |
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.2270 |
| SMILES | CN(C(C1SC=CC=1)=O)CC(O)=O |
| Synonyms | 2-(N-methyl-1-thiophen-2-ylformamido)acetic acid,
926202-64-4,
[methyl(thien-2-ylcarbonyl)amino]acetic acid,
AC1O4Y2O,
AC1Q3X9O,
[(Methyl)(thiophene-2-carbonyl)amino]acetic acid,
NRJFXOJRCYPZOT-UHFFFAOYSA-N,
ZINC20281764,
AKOS000130988,
MCULE-9642439000,
NE28142,
EN300-30864,
2-[methyl(thiophene-2-carbonyl)amino]acetic acid,
2-[N-methyl-1-(thiophen-2-yl)formamido]acetic acid,
Z85895273,
CID6422196,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.224g/mol |
| Monoisotopic Mass | 199.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number