Chemical ID: 4167640

c1cc(ccc1SSc2ccc(cc2)Cl)Cl
Chemical ID:
4167640
Name [?]:
1-chloro-4-(4-chlorophenyl)disulfanyl-benzene
SMILES [?]:
c1cc(ccc1SSc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChi Info:
AuxInfo=1/0/N:2,4,11,13,1,5,10,14,3,12,6,9,16,15,7,8/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCSSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8Cl2S2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:10.6068
Area:454.135
Solvation:-0.746601
Coulombic:-4.61
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.229
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.72
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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