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Chemical ID: 6685588

Chemical ID:

6685588

Name [?]:

3-ethyl-5-[2-(3-methylthiazolidin-2-ylidene)ethylidene]-2-thioxo-oxazolidin-4-one

SMILES [?]:

CCN1C(=O)C(=CC=C2N(CCS2)C)OC1=S

InChi [?]:

InChI=1/C11H14N2O2S2/c1-3-13-10(14)8(15-11(13)16)4-5-9-12(2)6-7-17-9/h4-5H,3,6-7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,14,2,7,8,11,12,6,9,4,16,10,3,5,15,17,13/rA:17cCCNCOCCCCNCCSCOCS/rB:s1;s2;s3;d4;s4;w6;s7;w8;s9;s10;s11;s9s12;s10;s6;s3s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄N₂O₂S₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	9.35647
Area:	448.319
Solvation:	-1.85149
Coulombic:	-34.8014

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	2
Chiral:	2
Rigid Segments:	3

Chemical Properties

Molecular Weight:	270.373
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.76
LogP (Chemaxon):	2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value