Chemical ID: 5567626

c1ccc(cc1)c2nnc(s2)[NH3+]
Chemical ID:
5567626
Name [?]:
(5-phenyl-1,3,4-thiadiazol-2-yl)ammonium
SMILES [?]:
c1ccc(cc1)c2nnc(s2)[NH3+]
InChi [?]:
InChI=1/C8H7N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,12,8,9,11/E:(2,3)(4,5)/rA:12nCCCCCCCNNCSN+/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N3S+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-33.7172
Area:338.733
Solvation:-42.1855
Coulombic:43.8585
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.235
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.39
LogP (Chemaxon):1.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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