| CAS Number | 62580-22-7 |
| Catalog Number | AG01A6DS(AGN-PC-00OI8T) |
| Chemical Name | 6-(Methylsulfanyl)hexan-1-amine |
| IUPAC Name | 6-methylsulfanylhexan-1-amine |
| InChI | InChI=1S/C7H17NS/c1-9-7-5-3-2-4-6-8/h2-8H2,1H3 |
| InChI Key | HTQYVNNDNPYFCV-UHFFFAOYSA-N |
| MDL Number | MFCD19670899 |
| Molecular Formula | C7H17NS |
| Molecular Weight | 147.2816 |
| SMILES | CSCCCCCCN |
| Synonyms | 6-(methylsulfanyl)hexan-1-amine,
62580-22-7,
7-thiaoctylamine,
CHEMBL3247585,
SCHEMBL11160081,
1-Hexanamine, 6-(methylthio)-,
CTK2B6873,
DTXSID20553361,
ZINC70019557,
AKOS013498399,
NE27395,
6-(Methylthio)-1-hexanamine,
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| Complexity | 48.2 |
| 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 | 6 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number