Chemical ID: 6526840

CCCCCCOc1ccc(cc1)C=NN2C(=O)CSC2=S
Chemical ID:
6526840
Name [?]:
3-[(4-hexoxyphenyl)methyleneamino]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCCCCCOc1ccc(cc1)C=NN2C(=O)CSC2=S
InChi [?]:
InChI=1/C16H20N2O2S2/c1-2-3-4-5-10-20-14-8-6-13(7-9-14)11-17-18-15(19)12-22-16(18)21/h6-9,11H,2-5,10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,10,12,9,13,6,14,19,11,8,17,21,15,16,18,7,22,20/E:(6,7)(8,9)/rA:22nCCCCCCOCCCCCCCNNCOCSCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;w14;s15;s16;d17;s17;s19;s16s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.84768
Area:544.685
Solvation:-3.76944
Coulombic:-23.9243
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:336.474
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):4.67

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