Chemical ID: 5846152

c1cc(sc1)c2nn(c(=[NH2+])s2)CC(=O)c3cccs3
Chemical ID:
5846152
Name [?]:
[3-[2-oxo-2-(2-thienyl)ethyl]-5-(2-thienyl)-1,3,4-thiadiazol-2-ylidene]ammonium
SMILES [?]:
c1cc(sc1)c2nn(c(=[NH2+])s2)CC(=O)c3cccs3
InChi [?]:
InChI=1/C12H9N3OS3/c13-12-15(7-8(16)9-3-1-5-17-9)14-11(19-12)10-4-2-6-18-10/h1-6,13H,7H2/p+1
InChi Info:
AuxInfo=1/1/N:17,1,16,2,18,5,12,13,15,3,6,9,10,7,8,14,19,4,11/rA:19nCCCSCCNNCN+SCCOCCCCS/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;d9;s6s9;s8;s12;d13;s13;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N3OS3+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-28.9448
Area:492.541
Solvation:-41.2583
Coulombic:-14.1177
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.425
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.1
LogP (Chemaxon):2.53

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Descriptor Annotations

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