Chemical ID: 7437652

Cc1ccc(cc1)C(=S)NC2CCCCC2
Chemical ID:
7437652
Name [?]:
N-cyclohexyl-4-methyl-benzenecarbothioamide
SMILES [?]:
Cc1ccc(cc1)C(=S)NC2CCCCC2
InChi [?]:
InChI=1/C14H19NS/c1-11-7-9-12(10-8-11)14(16)15-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,3,7,4,6,2,5,11,8,10,9/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCCCCCCCCSNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NS
All Atoms:35
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.95836
Area:425.014
Solvation:-0.666984
Coulombic:-15.4957
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.373
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.2
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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