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Chemical ID: 4988026
Chemical ID:
4988026
Name [?]:
2,6-dimethyl-4-methylsulfanyl-pyran
SMILES [?]:
Cc1cc(cc([o+]1)C)SC
InChi [?]:
InChI=1/C8H11OS/c1-6-4-8(10-3)5-7(2)9-6/h4-5H,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,8,10,3,5,2,6,4,7,9/E:(1,2)(4,5)(6,7)/CRV:9+1/rA:10nCCCCCCO+CSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s4;s9;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11OS+ |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.7621 |
Area: | 317.988 |
Solvation: | -27.7118 |
Coulombic: | 24.6108 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 155.238 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.02 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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