Chemical ID: 4280080

c1cc(ccc1OCCCCCS)Cl
Chemical ID:
4280080
Name [?]:
5-(4-chlorophenoxy)pentane-1-thiol
SMILES [?]:
c1cc(ccc1OCCCCCS)Cl
InChi [?]:
InChI=1/C11H15ClOS/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-14/h4-7,14H,1-3,8-9H2
InChi Info:
AuxInfo=1/0/N:10,9,11,2,4,1,5,8,12,3,6,14,7,13/E:(4,5)(6,7)/rA:14nCCCCCCOCCCCCSCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15ClOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.89258
Area:441.756
Solvation:-2.15131
Coulombic:-12.0149
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:230.755
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.3
LogP (Chemaxon):3.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue