Chemical ID: 6914494

CC(=O)SC(CCCCC(=O)N)CCS
Chemical ID:
6914494
Name [?]:
6-acetylsulfanyl-8-sulfanyl-octanamide
SMILES [?]:
CC(=O)SC(CCCCC(=O)N)CCS
InChi [?]:
InChI=1/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,13,14,2,5,10,12,3,11,15,4/rA:15cCCOSCCCCCCONCCS/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s5;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H19NO2S2
All Atoms:34
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.72155
Area:460.832
Solvation:-2.79925
Coulombic:-35.7872
Bond Count [?]
All:14
Single:12
Double:2
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:249.395
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.43
LogP (Chemaxon):0.7

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