Chemical ID: 5299241

Cc1cccc(c1)NC(=O)NC2CCS(=O)(=O)C2
Chemical ID:
5299241
Name [?]:
3-(1,1-dioxothiolan-3-yl)-1-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)NC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C12H16N2O3S/c1-9-3-2-4-10(7-9)13-12(15)14-11-5-6-18(16,17)8-11/h2-4,7,11H,5-6,8H2,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,13,14,7,18,2,6,12,9,8,11,10,16,17,15/E:(16,17)/CRV:18.6/rA:18cCCCCCCCNCONCCCSOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;d15;d15;s12s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.39928
Area:450.941
Solvation:-3.87426
Coulombic:-35.2702
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.333
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.29
LogP (Chemaxon):0.59

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