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Chemical ID: 6384437
Chemical ID:
6384437
Name [?]:
3-(4-methoxyphenyl)-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CNC(=S)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H18N2OS/c1-12-3-5-13(6-4-12)11-17-16(20)18-14-7-9-15(19-2)10-8-14/h3-10H,11H2,1-2H3,(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,14,18,15,17,8,2,5,13,16,10,9,12,19,11/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCCNCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89449 |
Area: | 501.121 |
Solvation: | -2.63355 |
Coulombic: | -33.3462 |
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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