Chemical ID: 6553846

c1ccc(cc1)CNC(=S)Nc2cccc3c2CCCC3
Chemical ID:
6553846
Name [?]:
1-benzyl-3-tetralin-1-yl-thiourea
SMILES [?]:
c1ccc(cc1)CNC(=S)Nc2cccc3c2CCCC3
InChi [?]:
InChI=1/C18H20N2S/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-3,6-8,10,12H,4-5,9,11,13H2,(H2,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,19,14,3,5,21,15,18,13,7,4,16,17,12,9,8,11,10/E:(2,3)(7,8)/rA:21nCCCCCCCNCSNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.2301
Area:499.244
Solvation:-1.25103
Coulombic:-27.5019
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.431
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.65
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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