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Chemical ID: 6604675
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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