Chemical ID: 4553908

c1cc(sc1C=O)SCCSc2ccc(s2)C=O
Chemical ID:
4553908
Name [?]:
5-[2-[(5-formyl-2-thienyl)sulfanyl]ethylsulfanyl]thiophene-2-carbaldehyde
SMILES [?]:
c1cc(sc1C=O)SCCSc2ccc(s2)C=O
InChi [?]:
InChI=1/C12H10O2S4/c13-7-9-1-3-11(17-9)15-5-6-16-12-4-2-10(8-14)18-12/h1-4,7-8H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,14,2,13,9,10,6,17,5,15,3,12,7,18,8,11,4,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCSCCOSCCSCCCCSCO/rB:s1;d2;s3;d1s4;s5;d6;s3;s8;s9;s10;s11;d12;s13;d14;s12s15;s15;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10O2S4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.4335
Area:518.327
Solvation:-4.52467
Coulombic:-16.1692
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:314.471
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.88
LogP (Chemaxon):2.75

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