Chemical ID: 4150897

C1Cc2c([nH]c(=S)[nH]c2=O)C1
Chemical ID:
4150897
Name [?]:
4-thioxo-3,5-diazabicyclo[4.3.0]non-10-en-2-one
SMILES [?]:
C1Cc2c([nH]c(=S)[nH]c2=O)C1
InChi [?]:
InChI=1/C7H8N2OS/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,11,3,4,9,6,5,8,10,7/rA:11nCCCCNCSNCOC/rB:s1;s2;d3;s4;s5;d6;s6;s3s8;d9;s1s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N2OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.47216
Area:311.531
Solvation:-1.31611
Coulombic:-32.3687
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:168.217
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.2
LogP (Chemaxon):0.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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