Chemical ID: 4259896

c1ccc2c(c1)Oc3ccccc3S2
Chemical ID:
4259896
Name [?]:
phenoxathiine
SMILES [?]:
c1ccc2c(c1)Oc3ccccc3S2
InChi [?]:
InChI=1/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,5,8,4,13,7,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:14nCCCCCCOCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.42769
Area:345.418
Solvation:-1.20777
Coulombic:-11.2847
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.257
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.68
LogP (Chemaxon):3.94

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