| CAS Number | 1183512-25-5 |
| Catalog Number | AG01A95Y(AGN-PC-0WOABI) |
| Chemical Name | 7-(Methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine |
| IUPAC Name | 6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine |
| InChI | InChI=1S/C9H11NO2S/c1-13-9-5-8-7(4-6(9)10)11-2-3-12-8/h4-5H,2-3,10H2,1H3 |
| InChI Key | BOXXRJVACCXEKH-UHFFFAOYSA-N |
| MDL Number | MFCD12823585 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | CSC1=C(N)C=C2C(OCCO2)=C1 |
| Synonyms | 7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine,
1183512-25-5,
AC1Q4GWG,
SCHEMBL15534479,
ZINC38063462,
AKOS010252178,
MCULE-6017320629,
NE36309,
EN300-64260,
Z1262254400,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number