Chemical ID: 6658696

c1ccc2c(c1)nc(s2)SNC3CCCCC3
Chemical ID:
6658696
Name [?]:
N-cyclohexylbenzothiazole-2-sulfenamide
SMILES [?]:
c1ccc2c(c1)nc(s2)SNC3CCCCC3
InChi [?]:
InChI=1/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:15,14,16,1,2,13,17,6,3,12,5,4,8,7,11,9,10/E:(2,3)(6,7)/rA:17nCCCCCCNCSSNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2S2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.3788
Area:452.665
Solvation:-0.937857
Coulombic:-16.0298
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.412
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.46
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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