Chemical ID: 6623074

c1ccc(cc1)N=c2[nH]nns2
Chemical ID:
6623074
Name [?]:
N-phenyl-4H-thiatriazol-5-imine
SMILES [?]:
c1ccc(cc1)N=c2[nH]nns2
InChi [?]:
InChI=1/C7H6N4S/c1-2-4-6(5-3-1)8-7-9-10-11-12-7/h1-5H,(H,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,7,9,10,11,12/E:(2,3)(4,5)/rA:12nCCCCCCNCNNNS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.18689
Area:336.257
Solvation:-1.21953
Coulombic:-15.7717
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:178.215
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.58
LogP (Chemaxon):3.09

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Descriptor Annotations

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