Chemical ID: 6654985

CSc1ccc(cc1)Cc2ccc(cc2)SC
Chemical ID:
6654985
Name [?]:
1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methyl]benzene
SMILES [?]:
CSc1ccc(cc1)Cc2ccc(cc2)SC
InChi [?]:
InChI=1/C15H16S2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,5,7,11,15,4,8,12,14,9,6,10,3,13,2,16/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(14,15)(16,17)/rA:17nCSCCCCCCCCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16S2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.1167
Area:461.896
Solvation:-1.43073
Coulombic:-4.51486
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.42
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.47
LogP (Chemaxon):5.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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