Chemical ID: 4821226

Cc1cc2c(=O)[nH]c(=S)[nH]c2s1
Chemical ID:
4821226
Name [?]:
8-methyl-4-thioxo-7-thia-3,5-diazabicyclo[4.3.0]nona-8,10-dien-2-one
SMILES [?]:
Cc1cc2c(=O)[nH]c(=S)[nH]c2s1
InChi [?]:
InChI=1/C7H6N2OS2/c1-3-2-4-5(10)8-7(11)9-6(4)12-3/h2H,1H3,(H2,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,5,11,8,7,10,6,9,12/rA:12nCCCCCONCSNCS/rB:s1;d2;s3;s4;d5;s5;s7;d8;s8;d4s10;s2s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2OS2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.44296
Area:346.92
Solvation:-1.23005
Coulombic:-33.5287
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:198.267
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.57
LogP (Chemaxon):1.73

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Descriptor Annotations

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