Chemical ID: 4988026

Cc1cc(cc([o+]1)C)SC
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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