Chemical ID: 6525838

Cc1ccc(c(c1)NC(=S)NCc2ccccc2)OC
Chemical ID:
6525838
Name [?]:
3-benzyl-1-(2-methoxy-5-methyl-phenyl)-thiourea
SMILES [?]:
Cc1ccc(c(c1)NC(=S)NCc2ccccc2)OC
InChi [?]:
InChI=1/C16H18N2OS/c1-12-8-9-15(19-2)14(10-12)18-16(20)17-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,16,15,17,14,18,3,4,7,12,2,13,6,5,9,11,8,19,10/E:(4,5)(6,7)/rA:20nCCCCCCCNCSNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.78414
Area:495.733
Solvation:-2.60918
Coulombic:-34.1861
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.393
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):4.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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