Chemical ID: 6124670

Cc1cc(=O)n2c(n1)SCC(=O)N2
Chemical ID:
6124670
Name [?]:
8-methyl-5-thia-1,2,7-triazabicyclo[4.4.0]deca-6,8-diene-3,10-dione
SMILES [?]:
Cc1cc(=O)n2c(n1)SCC(=O)N2
InChi [?]:
InChI=1/C7H7N3O2S/c1-4-2-6(12)10-7(8-4)13-3-5(11)9-10/h2H,3H2,1H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,3,10,2,11,4,7,8,13,6,12,5,9/rA:13nCCCCONCNSCCON/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;d11;s6s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.84773
Area:338.672
Solvation:-2.61907
Coulombic:-35.7973
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:197.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.7
LogP (Chemaxon):-0.55

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Descriptor Annotations

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