Chemical ID: 4715847

CC(=O)c1cnc2n(c1=O)ncs2
Chemical ID:
4715847
Name [?]:
4-acetyl-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1,3,7-trien-5-one
SMILES [?]:
CC(=O)c1cnc2n(c1=O)ncs2
InChi [?]:
InChI=1/C7H5N3O2S/c1-4(11)5-2-8-7-10(6(5)12)9-3-13-7/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,12,2,4,9,7,6,11,8,3,10,13/rA:13nCCOCCNCNCONCS/rB:s1;d2;s2;d4;s5;d6;s7;s4s8;d9;s8;d11;s7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5N3O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.08414
Area:332.444
Solvation:-4.22697
Coulombic:-24.9721
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:195.2
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.18
LogP (Chemaxon):-0.64

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