| CAS Number | 1019584-14-5 |
| Catalog Number | AG01A96Z |
| Chemical Name | 7-(Phenylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine |
| IUPAC Name | 6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine |
| InChI | InChI=1S/C14H13NO2S/c15-11-8-12-13(17-7-6-16-12)9-14(11)18-10-4-2-1-3-5-10/h1-5,8-9H,6-7,15H2 |
| InChI Key | OXUHLCGCWHQHQW-UHFFFAOYSA-N |
| MDL Number | MFCD11135869 |
| Molecular Formula | C14H13NO2S |
| Molecular Weight | 259.3235 |
| SMILES | NC1=C(SC2=CC=CC=C2)C=C2C(OCCO2)=C1 |
| Synonyms | 7-(phenylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine,
1019584-14-5,
AC1Q51A4,
ZINC19869328,
AKOS000222216,
MCULE-9931964266,
NE33065,
EN300-64345,
Z1262254248,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.323g/mol |
| Monoisotopic Mass | 259.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number