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Chemical ID: 7118203
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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