| CAS Number | 1342125-37-4 |
| Catalog Number | AG019T10(AGN-PC-0WO3LH) |
| Chemical Name | [4-(ethylsulfanyl)butan-2-yl](methyl)amine |
| IUPAC Name | 4-ethylsulfanyl-N-methylbutan-2-amine |
| InChI | InChI=1S/C7H17NS/c1-4-9-6-5-7(2)8-3/h7-8H,4-6H2,1-3H3 |
| InChI Key | TXIOTTMJJHXBLA-UHFFFAOYSA-N |
| MDL Number | MFCD20373049 |
| Molecular Formula | C7H17NS |
| Molecular Weight | 147.2816 |
| SMILES | CCSCCC(NC)C |
| Synonyms | [4-(ethylsulfanyl)butan-2-yl](methyl)amine,
1342125-37-4,
AKOS013939666,
MCULE-8576737073,
NE32097,
Z1276496845,
|
| Complexity | 56.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.28g/mol |
| Monoisotopic Mass | 147.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number