| CAS Number | 1184057-66-6 |
| Catalog Number | AG01A2PA |
| Chemical Name | methyl 3-[(3-aminophenyl)sulfanyl]propanoate |
| IUPAC Name | methyl 3-(3-aminophenyl)sulfanylpropanoate |
| InChI | InChI=1S/C10H13NO2S/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3 |
| InChI Key | ODZFEJLYYXIBSF-UHFFFAOYSA-N |
| MDL Number | MFCD12763457 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | COC(CCSC1=CC(N)=CC=C1)=O |
| Synonyms | methyl 3-[(3-aminophenyl)sulfanyl]propanoate,
1184057-66-6,
ZINC37668205,
AKOS010098393,
NE17343,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.279g/mol |
| Monoisotopic Mass | 211.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number