Chemical ID: 4350586

CCOc1ccc(cc1)C=NN=C2NC(=O)CS2
Chemical ID:
4350586
Name [?]:
2-[(4-ethoxyphenyl)methyleneaminoimino]thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)C=NN=C2NC(=O)CS2
InChi [?]:
InChI=1/C12H13N3O2S/c1-2-17-10-5-3-9(4-6-10)7-13-15-12-14-11(16)8-18-12/h3-7H,2,8H2,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,10,17,7,4,15,13,11,14,12,16,3,18/E:(3,4)(5,6)/rA:18nCCOCCCCCCCNNCNCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;w12;s13;s14;d15;s15;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.97372
Area:456.917
Solvation:-3.4492
Coulombic:-31.9792
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:263.317
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):1.26

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Descriptor Annotations

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