Chemical ID: 6526098

CCCCOc1ccc(cc1)NC(=S)NCC=C
Chemical ID:
6526098
Name [?]:
3-allyl-1-(4-butoxyphenyl)-thiourea
SMILES [?]:
CCCCOc1ccc(cc1)NC(=S)NCC=C
InChi [?]:
InChI=1/C14H20N2OS/c1-3-5-11-17-13-8-6-12(7-9-13)16-14(18)15-10-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H2,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,3,8,10,7,11,16,4,9,6,13,15,12,5,14/E:(6,7)(8,9)/rA:18nCCCCOCCCCCCNCSNCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.1786
Area:495.128
Solvation:-2.19962
Coulombic:-34.4909
Bond Count [?]
All:18
Single:13
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:264.387
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):3.78

Name Annotations

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Descriptor Annotations

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