Chemical ID: 7118203

c1cc(sc1)c2n[n-]nn2
Chemical ID:
7118203
Name [?]:
5-(2-thienyl)-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
SMILES [?]:
c1cc(sc1)c2n[n-]nn2
InChi [?]:
InChI=1/C5H3N4S/c1-2-4(10-3-1)5-6-8-9-7-5/h1-3H/q-1
InChi Info:
AuxInfo=1/0/N:1,2,5,3,6,7,10,8,9,4/E:(6,7)(8,9)/CRV:8-1/rA:10nCCCSCCNN-NN/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;s6d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H3N4S-
All Atoms:13
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-31.8487
Area:297.919
Solvation:-39.2967
Coulombic:33.5319
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.17
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.18
LogP (Chemaxon):1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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