Chemical ID: 4285592

Cc1ccc(cc1C)OCCCSC(C)C
Chemical ID:
4285592
Name [?]:
4-(3-isopropylsulfanylpropoxy)-1,2-dimethyl-benzene
SMILES [?]:
Cc1ccc(cc1C)OCCCSC(C)C
InChi [?]:
InChI=1/C14H22OS/c1-11(2)16-9-5-8-15-14-7-6-12(3)13(4)10-14/h6-7,10-11H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:15,16,1,8,11,3,4,10,12,6,14,2,7,5,9,13/E:(1,2)/rA:16nCCCCCCCCOCCCSCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.41921
Area:463.942
Solvation:-2.17934
Coulombic:-10.2092
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:238.39
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.86
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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