Chemical ID: 5373534

Cc1c(scn1)C=O
Chemical ID:
5373534
Name [?]:
4-methylthiazole-5-carbaldehyde
SMILES [?]:
Cc1c(scn1)C=O
InChi [?]:
InChI=1/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,5,2,3,6,8,4/rA:8nCCCSCNCO/rB:s1;d2;s3;s4;s2d5;s3;d7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5NOS
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:4.19717
Area:269.351
Solvation:-2.53661
Coulombic:-10.7963
Bond Count [?]
All:8
Single:5
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:127.165
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.44
LogP (Chemaxon):-0.01

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