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Chemical ID: 4280080
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
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Experimental Annotations
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Descriptor Annotations
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