General Information of the Compound
| Compound ID |
CP0395928
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| Compound Name |
1-isothiocyanato-6-methylsulfanylhexane
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| Structure |
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| Formula |
C8H15NS2
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| Molecular Weight |
189.349
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| Canonical SMILES |
CSCCCCCCN=C=S
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| InChI |
InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3
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| InChIKey |
YIBXPFAXPUDDTK-UHFFFAOYSA-N
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| CAS |
4430-39-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound