CID 6905901

2-thiophenecarbaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C8H11N3S2
SMILES
CCNC(=S)N/N=C/C1=CC=CS1
InChI
InChI=1S/C8H11N3S2/c1-2-9-8(12)11-10-6-7-4-3-5-13-7/h3-6H,2H2,1H3,(H2,9,11,12)/b10-6+
InChIKey
ZAHRLVBYQPAUMY-UXBLZVDNSA-N
Compound name
1-ethyl-3-[(E)-thiophen-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

213.03944 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04672 145.9
[M+Na]+ 236.02866 152.9
[M+NH4]+ 231.07326 154.4
[M+K]+ 252.00260 145.0
[M-H]- 212.03216 149.0
[M+Na-2H]- 234.01411 150.2
[M]+ 213.03889 148.3
[M]- 213.03999 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.