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Chemical ID: 7437652
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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