Chemical ID: 6517222

c1ccc(cc1)OCCSc2nnc(s2)SCCOc3ccccc3
Chemical ID:
6517222
Name [?]:
2,5-bis(2-phenoxyethylsulfanyl)-1,3,4-thiadiazole
SMILES [?]:
c1ccc(cc1)OCCSc2nnc(s2)SCCOc3ccccc3
InChi [?]:
InChI=1/C18H18N2O2S3/c1-3-7-15(8-4-1)21-11-13-23-17-19-20-18(25-17)24-14-12-22-16-9-5-2-6-10-16/h1-10H,11-14H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,22,24,3,5,21,25,8,18,9,17,4,20,11,14,12,13,7,19,10,16,15/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:25nCCCCCCOCCSCNNCSSCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2S3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.7027
Area:647.563
Solvation:-3.48639
Coulombic:-24.7221
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:390.546
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.75
LogP (Chemaxon):4.92

Name Annotations

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Descriptor Annotations

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