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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
31
Total Number of Articles : 16
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| PubChem |
9815648
|
| Molecular Formula |
C8H15NOS2 |
| SMILES |
CS(=O)CCCCCCN=C=S |
| InChI |
InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3 |
| synonyms |
- Hesperin
- 4430-35-7
- 6-methylsulfinylhexyl isothiocyanate
- 6-(methylsulfinyl)hexyl isothiocyanate
- 1-Isothiocyanato-6-(methylsulfinyl)hexane
- 1-ISOTHIOCYANATO-6-(METHYLSULFINYL)-HEXANE
- 6-MITC
- 8RUP6Q3JBB
- CHEMBL573428
- Hexane, 1-isothiocyanato-6-(methylsulfinyl)-
- 1-isothiocyanato-6-methanesulfinylhexane
- Isothiocyanic acid, 6-(methylsulfinyl)hexyl ester
- 6-MeSC6 isothiocyanate
- Isothiocyanic Acid 6-(Methylsulfinyl)hexyl Ester; 1-Isothiocyanato-6-(methylsulfinyl)hexane; Hesperin
- 1-isothiocyanato-6-methylsulfinylhexane
- UNII-8RUP6Q3JBB
- 6-HITC
- 6-MITC?
- SCHEMBL106183
- DTXSID00431173
- CHEBI:138799
- XQZVZULJKVALRI-UHFFFAOYSA-N
- GLXC-04603
- ?6-Methylsulfinylhexyl Isothiocyanate
- BDBM50508432
- AKOS040741834
- MS-23116
- DB-296629
- HY-101371
- CS-0021243
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| Properties |
| Property |
Value |
| MW |
205.3 g/mol |
| HBD |
0 |
| HBA |
4 |
| Rotatable Bond Count |
7 |
| Exact Mass |
205.05950645 g/mol |
| Monoisotopic Mass |
205.05950645 g/mol |
| Heavy Atom Count |
12 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
176 |
| xlogp |
2.1 |
| Topological Polar Surface Area |
80.7 |
|