Chemical ID: 5151626

CC(C)CC1C(=O)N(C(=S)N1)CC=C
Chemical ID:
5151626
Name [?]:
3-allyl-5-isobutyl-2-thioxo-imidazolidin-4-one
SMILES [?]:
CC(C)CC1C(=O)N(C(=S)N1)CC=C
InChi [?]:
InChI=1/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:14,1,3,13,12,4,2,5,6,9,11,8,7,10/E:(2,3)/rA:14cCCCCCCONCSNCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s5s9;s8;s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16N2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.63375
Area:398.42
Solvation:-1.32674
Coulombic:-31.9947
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.313
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.91
LogP (Chemaxon):2.1

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