Chemical ID: 4751800

c1cc(sc1)C(=O)c2[nH]ccn2
Chemical ID:
4751800
Name [?]:
1H-imidazol-2-yl-(2-thienyl)methanone
SMILES [?]:
c1cc(sc1)C(=O)c2[nH]ccn2
InChi [?]:
InChI=1/C8H6N2OS/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,5,3,6,8,9,12,7,4/E:(3,4)(9,10)/rA:12nCCCSCCOCNCCN/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.38582
Area:330.149
Solvation:-1.8679
Coulombic:-26.8973
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.212
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.55
LogP (Chemaxon):0.9

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