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 144.6
[M+Na]+ 236.02866 151.3
[M-H]- 212.03216 149.2
[M+NH4]+ 231.07326 165.3
[M+K]+ 252.00260 147.0
[M+H-H2O]+ 196.03670 137.5
[M+HCOO]- 258.03764 162.3
[M+CH3COO]- 272.05329 191.2
[M+Na-2H]- 234.01411 146.2
[M]+ 213.03889 145.1
[M]- 213.03999 145.1
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.