Chemical ID: 5185058

Cc1ccccc1NC(=O)NC2CCS(=O)(=O)C2
Chemical ID:
5185058
Name [?]:
3-(1,1-dioxothiolan-3-yl)-1-(o-tolyl)urea
SMILES [?]:
Cc1ccccc1NC(=O)NC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C12H16N2O3S/c1-9-4-2-3-5-11(9)14-12(15)13-10-6-7-18(16,17)8-10/h2-5,10H,6-8H2,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,13,14,18,2,12,7,9,11,8,10,16,17,15/E:(16,17)/CRV:18.6/rA:18cCCCCCCCNCONCCCSOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;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:7.32972
Area:446.232
Solvation:-3.82608
Coulombic:-35.4363
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:1.08
LogP (Chemaxon):-0.06

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Descriptor Annotations

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