Chemical ID: 5567327

COC(=O)c1c(c2c(s1)snn2)O
Chemical ID:
5567327
Name [?]:
methyl 8-hydroxy-4,6-dithia-2,3-diazabicyclo[3.3.0]octa-2,7,9-triene-7-carboxylate
SMILES [?]:
COC(=O)c1c(c2c(s1)snn2)O
InChi [?]:
InChI=1/C6H4N2O3S2/c1-11-5(10)4-3(9)2-6(12-4)13-8-7-2/h9H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,5,3,8,12,11,13,4,2,9,10/rA:13nCOCOCCCCSSNNO/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s8;s10;s7d11;s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4N2O3S2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.83423
Area:355.584
Solvation:-3.05537
Coulombic:-36.2337
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.24
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.08
LogP (Chemaxon):1.34

Name Annotations

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Descriptor Annotations

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