Erysolin
1-isothiocyanato-4-methylsulfonylbutane
Also Known As: Erysolin|Spectrum_001235|SpecPlus_000632|Spectrum2_001443|Spectrum3_001471|Spectrum4_001909|Spectrum5_000598|1-isothiocyanato-4-methylsulfonylbutane|1-isothiocyanato-4-(methylsulfonyl)butane|BSPBio_003021|KBioGR_002504|KBioSS_001715|DivK1c_006728|SPECTRUM1501193|SPBio_001305|KBio1_001672|KBio2_001715|KBio2_004283|KBio2_006851|KBio3_002521|1-isothiocyanato-4-methanesulfonylbutane|4-methylsulfonylbutyl isothiocyanate|Butane, 1-isothiocyanato-4-(methylsulfonyl)-|4-Isothiocyanatobutyl methyl sulfone|4-(methylsulfonyl)butyl isothiocyanate|4-(Methanesulfonyl)butyl isothiocyanate|SDCCGMLS-0066701.P001|4-(Methylsulfonyl)-butyl isothiocyanate|1-isothiocyanato-4-methylsulfonyl-butane|NCGC00095655-01
| Molecular Formula | C6H11NO2S2 |
|---|---|
| Molecular Weight | 193.02312 g/mol |
| LogP | 0.914 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.02312 |
| Monoisotopic Mass | 193.02312 |
| Heavy Atoms | 11 |
| Complexity | 239.30789 |
Chemical Identifiers
| CAS Number | 504-84-7 |
|---|---|
| SMILES | CS(=O)(=O)CCCCN=C=S |
Product Overview
Erysolin (CAS 504-84-7), with molecular formula C6H11NO2S2 and molecular weight 193.02312 g/mol. IUPAC: 1-isothiocyanato-4-methylsulfonylbutane.