Chemical ID: 6604675

CCOC(=O)C=C1NC(=O)C(S1)C
Chemical ID:
6604675
Name [?]:
ethyl 2-(5-methyl-4-oxo-thiazolidin-2-ylidene)acetate
SMILES [?]:
CCOC(=O)C=C1NC(=O)C(S1)C
InChi [?]:
InChI=1/C8H11NO3S/c1-3-12-7(10)4-6-9-8(11)5(2)13-6/h4-5H,3H2,1-2H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,11,7,4,9,8,5,10,3,12/rA:13cCCOCOCCNCOCSC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s9;s7s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11NO3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.02354
Area:371.836
Solvation:-2.27235
Coulombic:-39.481
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:201.244
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.52
LogP (Chemaxon):0.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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