| CAS Number | 915921-11-8 |
| Catalog Number | AG006TET(AGN-PC-0WB38U) |
| Chemical Name | N-[3-(methylthio)benzyl]propan-2-amine |
| IUPAC Name | N-[(3-methylsulfanylphenyl)methyl]propan-2-amine |
| InChI | InChI=1S/C11H17NS/c1-9(2)12-8-10-5-4-6-11(7-10)13-3/h4-7,9,12H,8H2,1-3H3 |
| InChI Key | MRGZDDHMRUUUAD-UHFFFAOYSA-N |
| MDL Number | MFCD08059736 |
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.3244 |
| SMILES | N(C(C)C)CC1C=CC=C(C=1)SC |
| Synonyms | 915921-11-8,
N-[3-(METHYLTHIO)BENZYL]PROPAN-2-AMINE,
N-(3-(Methylthio)benzyl)propan-2-amine,
SCHEMBL13996922,
CTK5G9956,
DTXSID50650796,
CHEMBRDG-BB 4002914,
ZX-CM002227,
MFCD08059736,
ZINC19088194,
AKOS006280761,
N-[3-(Methylthio)benzyl]-2-propanamine,
AJ-70924,
BBV-38272001,
Y-3333,
N-{[3-(Methylsulfanyl)phenyl]methyl}propan-2-amine,
4002914-25G,
4002914-50G,
4002914-100G,
CHEMBRDG-BB4002914,
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| Complexity | 136 |
| 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 | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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