Chemical ID: 4116109

CC(=O)c1cccc(c1)N=C=S
Chemical ID:
4116109
Name [?]:
1-(3-isothiocyanatophenyl)ethanone
SMILES [?]:
CC(=O)c1cccc(c1)N=C=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H7NOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.95166
Area:351.914
Solvation:-1.84618
Coulombic:-11.5344
Bond Count [?]
All:12
Single:6
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:177.224
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.02
LogP (Chemaxon):2.6

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