Chemical ID: 4107128

COC(=O)c1c2c3c(nsc3s1)SCC(=N2)O[Na]
Chemical ID:
4107128
Name [?]:
None
SMILES [?]:
COC(=O)c1c2c3c(nsc3s1)SCC(=N2)O[Na]
InChi [?]:
InChI=1/C9H6N2O3S3.Na/c1-14-8(13)6-5-4-7(11-17-9(4)16-6)15-2-3(12)10-5;/h2H2,1H3,(H,10,12);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,14,15,7,6,5,8,3,11,16,9,17,4,2,13,12,10;18/rA:18nCOCOCCCCNSCSSCCNONa/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d7s10;s5s11;s8;s13;s14;s6d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5N2NaO3S3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:0.0
Area:0.0
Solvation:0.0
Coulombic:0.0
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.335
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.6
LogP (Chemaxon):2.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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