Chemical ID: 4729872

Cc1c(sc(n1)C)C(=O)C
Chemical ID:
4729872
Name [?]:
1-(2,4-dimethylthiazol-5-yl)ethanone
SMILES [?]:
Cc1c(sc(n1)C)C(=O)C
InChi [?]:
InChI=1/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,7,2,8,5,3,6,9,4/rA:10nCCCSCNCCOC/rB:s1;d2;s3;s4;s2d5;s5;s3;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9NOS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.11695
Area:308.1
Solvation:-1.58554
Coulombic:-11.9876
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:155.219
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.43
LogP (Chemaxon):-0.1

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