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Chemical ID: 6654985
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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