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Chemical ID: 4172860
Chemical ID:
4172860
Name [?]:
1-phenyl-3-thiadiazol-5-yl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2cnns2
InChi [?]:
InChI=1/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,4,11,8,13,7,10,14,9,15/E:(2,3)(4,5)/rA:15nCCCCCCNCONCCNNS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N4OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90703 |
Area: | 383.688 |
Solvation: | -2.68516 |
Coulombic: | -35.4549 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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