| CAS Number | 915923-48-7 |
| Catalog Number | AG00GTR7(AGN-PC-0WB55J) |
| Chemical Name | N-Ethyl-2-[(4-methylphenyl)thio]ethanamine |
| IUPAC Name | N-ethyl-2-(4-methylphenyl)sulfanylethanamine |
| InChI | InChI=1S/C11H17NS/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3 |
| InChI Key | BSLRZQKDBMWZDQ-UHFFFAOYSA-N |
| MDL Number | MFCD08691964 |
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.3244 |
| SMILES | C1(C=CC(=CC=1)C)SCCNCC |
| Synonyms | 915923-48-7,
N-ETHYL-2-[(4-METHYLPHENYL)THIO]ETHANAMINE,
N-Ethyl-2-(p-tolylthio)ethanamine,
CHEMBRDG-BB 9071599,
CTK5H0096,
DTXSID10651123,
ZX-CM018281,
MFCD08691964,
ZINC19094328,
AKOS009062762,
AJ-72413,
Y-4600,
N-Ethyl-2-[(4-methylphenyl)sulfanyl]ethan-1-amine,
CHEMBRDG-BB9071599,
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| Complexity | 119 |
| 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 | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number