Chemical ID: 6124938

Cc1cc(=O)n2c(n1)SCC(=N2)N
Chemical ID:
6124938
Name [?]:
3-amino-8-methyl-5-thia-1,2,7-triazabicyclo[4.4.0]deca-2,6,8-trien-10-one
SMILES [?]:
Cc1cc(=O)n2c(n1)SCC(=N2)N
InChi [?]:
InChI=1/C7H8N4OS/c1-4-2-6(12)11-7(9-4)13-3-5(8)10-11/h2H,3H2,1H3,(H2,8,10)
InChi Info:
AuxInfo=1/1/N:1,3,10,2,11,4,7,13,8,12,6,5,9/rA:13nCCCCONCNSCCNN/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;s6d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N4OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.99313
Area:342.863
Solvation:-2.57845
Coulombic:-36.225
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:196.231
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.22
LogP (Chemaxon):-0.2

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Descriptor Annotations

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