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Chemical ID: 6298710
Chemical ID:
6298710
Name [?]:
1-(p-tolyl)-2-(p-tolylsulfanyl)ethanone
SMILES [?]:
Cc1ccc(cc1)C(=O)CSc2ccc(cc2)C
InChi [?]:
InChI=1/C16H16OS/c1-12-3-7-14(8-4-12)16(17)11-18-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,7,14,16,4,6,13,17,10,2,15,5,12,8,9,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06955 |
Area: | 463.959 |
Solvation: | -2.52943 |
Coulombic: | -10.6062 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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