Chemical ID: 4543049

CC1CCCC(=NNC(=S)Nc2ccccc2)C1
Chemical ID:
4543049
Name [?]:
1-(3-methylcyclohexylidene)amino-3-phenyl-thiourea
SMILES [?]:
CC1CCCC(=NNC(=S)Nc2ccccc2)C1
InChi [?]:
InChI=1/C14H19N3S/c1-11-6-5-9-13(10-11)16-17-14(18)15-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,4,3,13,17,5,18,2,12,6,9,11,7,8,10/E:(3,4)(7,8)/rA:18cCCCCCCNNCSNCCCCCCC/rB:s1;s2;s3;s4;s5;w6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s2s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:10.0958
Area:465.393
Solvation:-1.53906
Coulombic:-23.8114
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:261.387
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.07
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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