| CAS Number | 62248-50-4 |
| Catalog Number | AG01A8M2(AGN-PC-0NIN0G) |
| Chemical Name | 4-{[4-(propan-2-yl)phenyl]sulfanyl}aniline |
| IUPAC Name | 4-(4-propan-2-ylphenyl)sulfanylaniline |
| InChI | InChI=1S/C15H17NS/c1-11(2)12-3-7-14(8-4-12)17-15-9-5-13(16)6-10-15/h3-11H,16H2,1-2H3 |
| InChI Key | SIIBXVIBBSAWCM-UHFFFAOYSA-N |
| MDL Number | MFCD11117353 |
| Molecular Formula | C15H17NS |
| Molecular Weight | 243.3672 |
| SMILES | CC(C1=CC=C(SC2=CC=C(N)C=C2)C=C1)C |
| Synonyms | 4-{[4-(propan-2-yl)phenyl]sulfanyl}aniline,
62248-50-4,
4-((4-Isopropylphenyl)thio)aniline,
AC1Q1OT8,
CTK2C3960,
DTXSID20491613,
ZINC20545895,
AKOS009173583,
MCULE-6827323107,
NE14931,
EN300-61972,
Benzenamine, 4-[[4-(1-methylethyl)phenyl]thio]-,
Z1262252898,
4-([4-(propan-2-yl)phenyl]sulfanyl)aniline,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.368g/mol |
| Monoisotopic Mass | 243.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number