Chemical ID: 4285486

c1ccc(c(c1)OCCCCCCS)Cl
Chemical ID:
4285486
Name [?]:
6-(2-chlorophenoxy)hexane-1-thiol
SMILES [?]:
c1ccc(c(c1)OCCCCCCS)Cl
InChi [?]:
InChI=1/C12H17ClOS/c13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-15/h3-4,7-8,15H,1-2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:10,11,2,1,9,12,3,6,8,13,4,5,15,7,14/rA:15nCCCCCCOCCCCCCSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17ClOS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.39227
Area:464.077
Solvation:-2.20966
Coulombic:-12.8383
Bond Count [?]
All:15
Single:12
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:244.781
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.66
LogP (Chemaxon):3.97

Name Annotations

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Descriptor Annotations

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