Chemical ID: 4673689

Cc1ccc(cc1)C(=S)N2CCCCC2
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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