Chemical ID: 4773465

CC(=NNC(=N)NC(=S)Nc1ccccc1)C
Chemical ID:
4773465
Name [?]:
1-(N-isopropylideneaminocarbamimidoyl)-3-phenyl-thiourea
SMILES [?]:
CC(=NNC(=N)NC(=S)Nc1ccccc1)C
InChi [?]:
InChI=1/C11H15N5S/c1-8(2)15-16-10(12)14-11(17)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H4,12,13,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,14,13,15,12,16,2,11,5,8,6,10,7,3,4,9/E:(1,2)(4,5)(6,7)/rA:17nCCNNCNNCSNCCCCCCC/rB:s1;d2;s3;s4;w5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15N5S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.4651
Area:448.882
Solvation:-2.75696
Coulombic:-44.6642
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:249.337
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:3.01
LogP (Chemaxon):3.14

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