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Chemical ID: 6142757
Chemical ID:
6142757
Name [?]:
3,5-dioxo-N-thiazol-2-yl-2H-1,2,4-triazine-6-sulfonamide
SMILES [?]:
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
InChi [?]:
InChI=1/C6H5N5O4S2/c12-3-4(9-10-5(13)8-3)17(14,15)11-6-7-1-2-16-6/h1-2H,(H,7,11)(H2,8,10,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,14,4,5,13,17,16,6,12,15,8,9,3,7/E:(14,15)/CRV:17.6/rA:17nCCSCNNSOOCCONCONN/rB:d1;s2;s3;s1d4;s4;s6;d7;d7;s7;s10;d11;s11;s13;d14;s14;d10s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H5N5O4S2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.38236 |
Area: | 403.082 |
Solvation: | -3.69469 |
Coulombic: | -60.1017 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -1.27 |
LogP (Chemaxon): | -2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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