Chemical ID: 7161593

Cc1cc2c(=O)[nH]c(nc2s1)S
Chemical ID:
7161593
Name [?]:
8-methyl-4-sulfanyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-2-one
SMILES [?]:
Cc1cc2c(=O)[nH]c(nc2s1)S
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:1,3,2,4,5,10,8,7,9,6,12,11/rA:12nCCCCCONCNCSS/rB:s1;d2;s3;s4;d5;s5;s7;d8;d4s9;s2s10;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2OS2
All Atoms:18
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.26872
Area:347.526
Solvation:-1.41943
Coulombic:-28.6363
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:0.29
LogP (Chemaxon):1.71

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Descriptor Annotations

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