Chemical ID: 6142757

c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
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

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