| CAS Number | 1094690-40-0 |
| Catalog Number | AG01A1BF |
| Chemical Name | 2-{[(2-methoxyphenyl)methyl]sulfanyl}aniline |
| IUPAC Name | 2-[(2-methoxyphenyl)methylsulfanyl]aniline |
| InChI | InChI=1S/C14H15NOS/c1-16-13-8-4-2-6-11(13)10-17-14-9-5-3-7-12(14)15/h2-9H,10,15H2,1H3 |
| InChI Key | QTAQCITZPUJHJV-UHFFFAOYSA-N |
| MDL Number | MFCD11619585 |
| Molecular Formula | C14H15NOS |
| Molecular Weight | 245.3400 |
| SMILES | COC1=C(CSC2=C(N)C=CC=C2)C=CC=C1 |
| Synonyms | 2-{[(2-methoxyphenyl)methyl]sulfanyl}aniline,
1094690-40-0,
ZINC37035422,
AKOS009396466,
MCULE-5415943938,
NE44047,
Z1459947391,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.34g/mol |
| Monoisotopic Mass | 245.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number