Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)
(2S)-N-(1-hydroxysulfonothioyloxypropan-2-yl)-2-(3-methylcyclohexyl)butan-1-amine
Also Known As: 2-((2-(3-Methylcyclohexyl)butyl)amino)propanethiol, hydrogen sulfate (ester)|o-(2-{[(2s)-2-(3-methylcyclohexyl)butyl]amino}propyl) hydrogen sulfurothioate|Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)|O-(2-{[2-(3-Methylcyclohexyl)butyl]amino}propyl) hydrogen sulfurothioate|Thiosulfuric acid S-{2-[2-(3-methyl-cyclohexyl)-butylamino]-propyl} ester|(2S)-N-(1-hydroxysulfonothioyloxypropan-2-yl)-2-(3-methylcyclohexyl)butan-1-amine|2-Naphthacenecarboxamide,4,7-bis(dimethylamino)-9-[[(2,2-dimethylpropyl)amino]methyl]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-,(4S,4aS,5aR,12aS)
| Molecular Formula | C14H29NO3S2 |
|---|---|
| Molecular Weight | 323.15887 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.15887 |
| Monoisotopic Mass | 323.15887 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 6293-90-9 |
|---|---|
| SMILES | CC[C@H](CNC(C)COS(=O)(=S)O)C1CCCC(C1)C |
| InChIKey | JYBPEUDXJCXUHT-WCFLAILDSA-N |
Product Overview
Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester) (CAS 6293-90-9), with molecular formula C14H29NO3S2 and molecular weight 323.15887 g/mol. IUPAC: (2S)-N-(1-hydroxysulfonothioyloxypropan-2-yl)-2-(3-methylcyclohexyl)butan-1-amine.