| CAS Number | 897552-35-1 |
| Catalog Number | AG01AAHV |
| Chemical Name | 1-[4-(ethylsulfanyl)phenyl]ethan-1-amine |
| IUPAC Name | 1-(4-ethylsulfanylphenyl)ethanamine |
| InChI | InChI=1S/C10H15NS/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3 |
| InChI Key | JPVWEKHGATUZRP-UHFFFAOYSA-N |
| MDL Number | MFCD05215404 |
| Molecular Formula | C10H15NS |
| Molecular Weight | 181.2978 |
| SMILES | CCSC1=CC=C(C(N)C)C=C1 |
| Synonyms | 1-[4-(ethylsulfanyl)phenyl]ethan-1-amine,
897552-35-1,
1-(4-ethylsulfanylphenyl)ethanamine,
AC1N2FQJ,
AC1Q38EU,
STL450165,
1-[4-(ethylsulfanyl)phenyl]ethanamine,
AKOS000225352,
AKOS022478364,
MCULE-5457853305,
NE37565,
EN300-68655,
Z1263811637,
CID4046027,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.297g/mol |
| Monoisotopic Mass | 181.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number