Chemical ID: 5190867

C[S+]1c2ccccc2Cc3c1cccc3
Chemical ID:
5190867
Name [?]:
10-methyl-9H-thioxanthene
SMILES [?]:
C[S+]1c2ccccc2Cc3c1cccc3
InChi [?]:
InChI=1/C14H13S/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-9H,10H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,6,14,5,13,7,15,4,12,9,8,10,3,11,2/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/CRV:15+1/rA:15cCS+CCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13S+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-16.0614
Area:365.916
Solvation:-25.2093
Coulombic:22.8788
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:213.319
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.64
LogP (Chemaxon):2.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue