| CAS Number | 1183610-56-1 |
| Catalog Number | AG01AAMM |
| Chemical Name | 1-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-amine |
| IUPAC Name | 1-(4-propan-2-ylsulfanylphenyl)ethanamine |
| InChI | InChI=1S/C11H17NS/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3 |
| InChI Key | LRDXHVBIGLAVCI-UHFFFAOYSA-N |
| MDL Number | MFCD12762209 |
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.3244 |
| SMILES | CC(SC1=CC=C(C(N)C)C=C1)C |
| Synonyms | 1-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-amine,
1183610-56-1,
AC1Q1QU8,
STL219915,
AKOS009164474,
MCULE-5682751685,
NE40044,
1-[4-(methylethylthio)phenyl]ethylamine,
ST45243666,
1-[4-(propan-2-ylsulfanyl)phenyl]ethanamine,
EN300-69023,
Z1263811633,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.324g/mol |
| Monoisotopic Mass | 195.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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