Chemical ID: 5154150

c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
Chemical ID:
5154150
Name [?]:
2-(4-phenacylidene-1,3-dithietan-2-ylidene)-1-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
InChi [?]:
InChI=1/C18H12O2S2/c19-15(13-7-3-1-4-8-13)11-17-21-18(22-17)12-16(20)14-9-5-2-6-10-14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,3,5,17,21,9,13,4,16,7,14,10,12,8,15,11,22/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCOCCSCCCOCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;d9;s10;s11;d12;s13;d14;s14;s16;d17;s18;d19;d16s20;s10s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12O2S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.73489
Area:533.182
Solvation:-3.59466
Coulombic:-19.4331
Bond Count [?]
All:24
Single:14
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.419
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.07
LogP (Chemaxon):5.5

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