Chemical ID: 4763597

Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
Chemical ID:
4763597
Name [?]:
methyl 3-(1-methylimidazol-4-yl)sulfonyloxythiophene-2-carboxylate
SMILES [?]:
Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
InChi [?]:
InChI=1/C10H10N2O5S2/c1-12-5-8(11-6-12)19(14,15)17-7-3-4-18-9(7)10(13)16-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,12,13,3,6,11,4,15,16,5,2,17,8,9,18,10,14,7/E:(14,15)/CRV:19.6/rA:19nCNCCNCSOOOCCCSCCOOC/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;d12;s13;d11s14;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O5S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.68529
Area:434.975
Solvation:-3.18908
Coulombic:-40.0475
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.329
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.84
LogP (Chemaxon):0.87

Name Annotations

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Descriptor Annotations

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