Chemical ID: 6206313

CCOCCCn1c(=O)c2c(c3ccccc3s2)[nH]c1=S
Chemical ID:
6206313
Name [?]:
None
SMILES [?]:
CCOCCCn1c(=O)c2c(c3ccccc3s2)[nH]c1=S
InChi [?]:
InChI=1/C15H16N2O2S2/c1-2-19-9-5-8-17-14(18)13-12(16-15(17)20)10-6-3-4-7-11(10)21-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,5,13,16,6,4,12,17,11,10,8,20,19,7,9,3,21,18/rA:21nCCOCCCNCOCCCCCCCCSNCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s7s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O2S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.81546
Area:514.87
Solvation:-3.05629
Coulombic:-38.5294
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.432
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.79
LogP (Chemaxon):3.77

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