|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
918
Total Number of Articles : 1248
|
| PubChem |
5350
|
| Molecular Formula |
C6H11NOS2 |
| SMILES |
CS(=O)CCCCN=C=S |
| InChI |
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 |
| synonyms |
- sulforaphane
- 4478-93-7
- DL-Sulforaphane
- 1-Isothiocyanato-4-(methylsulfinyl)butane
- D,L-Sulforaphane
- Sulforafan
- 1-Isothiocyanato-4-(methylsulfinyl)-butane
- 1-isothiocyanato-4-methylsulfinylbutane
- Butane, 1-isothiocyanato-4-(methylsulfinyl)-
- 4-Methylsulfinylbutyl isothiocyanate
- (+/-)-sulforaphane
- CHEBI:47807
- 41684WL1GL
- Butane, 1-isothiocyanato-4-[(S)-methylsulfinyl]-
- 4-(Methylsulfinyl)Butyl Isothiocyanate
- NSC-749790
- sulforaphane, (R)-
- (S)-1-Isothiocyanato-4-(methylsulfinyl)butane
- R,S-Sulforaphane
- SFN
- Sulphoraphane
- CCRIS 7221
- Sulforathane
- UNII-41684WL1GL
- S)-Sulforaphane
- Sulforaphane Racemate
- CHEMBL48802
- SCHEMBL105202
- GTPL6569
- DTXSID8036732
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|
| Properties |
| Property |
Value |
| MW |
177.3 g/mol |
| HBD |
0 |
| HBA |
4 |
| Rotatable Bond Count |
5 |
| Exact Mass |
177.02820632 g/mol |
| Monoisotopic Mass |
177.02820632 g/mol |
| Heavy Atom Count |
10 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
152 |
| xlogp |
1.4 |
| Topological Polar Surface Area |
80.7 |
|