Chemical ID: 5224433

c1cscc1c2[nH]nc(n2)c3ccsc3
Chemical ID:
5224433
Name [?]:
3,5-bis(3-thienyl)-1H-1,2,4-triazole
SMILES [?]:
c1cscc1c2[nH]nc(n2)c3ccsc3
InChi [?]:
InChI=1/C10H7N3S2/c1-3-14-5-7(1)9-11-10(13-12-9)8-2-4-15-6-8/h1-6H,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,12,2,13,4,15,5,11,6,9,10,7,8,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:15nCCSCCCNNCNCCCSC/rB:d1;s2;s3;s1d4;s5;s6;s7;d8;d6s9;s9;s11;d12;s13;d11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N3S2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.53358
Area:404.185
Solvation:-1.57104
Coulombic:-18.4798
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.315
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.86
LogP (Chemaxon):3.24

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