Chemical ID: 6623509

CCCCC(C(CCCC)C(=O)c1cccs1)C(=O)c2cccs2
Chemical ID:
6623509
Name [?]:
2,3-dibutyl-1,4-bis(2-thienyl)butane-1,4-dione
SMILES [?]:
CCCCC(C(CCCC)C(=O)c1cccs1)C(=O)c2cccs2
InChi [?]:
InChI=1/C20H26O2S2/c1-3-5-9-15(19(21)17-11-7-13-23-17)16(10-6-4-2)20(22)18-12-8-14-24-18/h7-8,11-16H,3-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,9,3,8,22,15,4,7,21,14,23,16,5,6,20,13,18,11,19,12,24,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24cCCCCCCCCCCCOCCCCSCOCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6;d11;s11;d13;s14;d15;s13s16;s5;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26O2S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:12.2561
Area:578.869
Solvation:-2.21566
Coulombic:-20.5647
Bond Count [?]
All:25
Single:19
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:362.551
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.22
LogP (Chemaxon):5.0

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Descriptor Annotations

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