| CAS Number | 14453-85-1 |
| Catalog Number | AG01AAEQ(AGN-PC-0NIN0I) |
| Chemical Name | 4-[(4-Methoxyphenyl)sulfanyl]aniline |
| IUPAC Name | 4-(4-methoxyphenyl)sulfanylaniline |
| InChI | InChI=1S/C13H13NOS/c1-15-11-4-8-13(9-5-11)16-12-6-2-10(14)3-7-12/h2-9H,14H2,1H3 |
| InChI Key | AQVVQTSIDWYIBE-UHFFFAOYSA-N |
| MDL Number | MFCD11132356 |
| Molecular Formula | C13H13NOS |
| Molecular Weight | 231.3134 |
| SMILES | COC1=CC=C(SC2=CC=C(N)C=C2)C=C1 |
| Synonyms | 4-[(4-methoxyphenyl)sulfanyl]aniline,
14453-85-1,
AC1Q4DRX,
SCHEMBL5786907,
AQVVQTSIDWYIBE-UHFFFAOYSA-N,
4-[(4-Methoxyphenyl)thio]aniline,
4-(4-methoxyphenylthio)benzenamine,
ZINC19845583,
AKOS000214939,
MCULE-5202502213,
NE20936,
4-(4-methoxy-phenylsulfanyl)-phenylamine,
EN300-68394,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.313g/mol |
| Monoisotopic Mass | 231.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number