Chemical ID: 6298710

Cc1ccc(cc1)C(=O)CSc2ccc(cc2)C
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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Descriptor Annotations

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