Chemical ID: 3968785

CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C
Chemical ID:
3968785
Name [?]:
5-allyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidine-2-thiolate
SMILES [?]:
CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H17N2O2S-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:-25.6479
Area:430.287
Solvation:-36.405
Coulombic:-20.3558
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.342
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.89
LogP (Chemaxon):3.12

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