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Chemical ID: 7161593
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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