Chemical ID: 5573022

c1ccc2c(c1)c(=O)c3ccccc3s2
Chemical ID:
5573022
Name [?]:
thioxanthen-9-one
SMILES [?]:
c1ccc2c(c1)c(=O)c3ccccc3s2
InChi [?]:
InChI=1/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,5,9,4,14,7,8,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:15nCCCCCCCOCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s4s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.86453
Area:361.683
Solvation:-1.17754
Coulombic:-12.2593
Bond Count [?]
All:17
Single:10
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:212.268
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.75
LogP (Chemaxon):4.01

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