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Chemical ID: 4673689
Chemical ID:
4673689
Name [?]:
1-piperidyl-(p-tolyl)methanethione
SMILES [?]:
Cc1ccc(cc1)C(=S)N2CCCCC2
InChi [?]:
InChI=1/C13H17NS/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,3,7,4,6,11,15,2,5,8,10,9/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCCCCCCCCSNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12643 |
Area: | 395.266 |
Solvation: | -0.755224 |
Coulombic: | -9.77189 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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