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Chemical ID: 4595834
Chemical ID:
4595834
Name [?]:
3-(1,1-dioxothiolan-3-yl)-1,1-dimethyl-urea
SMILES [?]:
CN(C)C(=O)NC1CCS(=O)(=O)C1
InChi [?]:
InChI=1/C7H14N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,13,7,4,6,2,5,11,12,10/E:(1,2)(11,12)/CRV:13.6/rA:13cCNCCONCCCSOOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;d10;d10;s7s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H14N2O3S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.52351 |
Area: | 368.625 |
Solvation: | -3.69212 |
Coulombic: | -30.1499 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.57 |
LogP (Chemaxon): | -1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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