CID 9570153

Methyl 3-methyl-4-isothiazolyl ketone thiosemicarbazone

Structural Information

Molecular Formula
C7H10N4S2
SMILES
CC1=NSC=C1/C(=N/NC(=S)N)/C
InChI
InChI=1S/C7H10N4S2/c1-4(9-10-7(8)12)6-3-13-11-5(6)2/h3H,1-2H3,(H3,8,10,12)/b9-4+
InChIKey
WMMNRUMUZHHWRJ-RUDMXATFSA-N
Compound name
[(E)-1-(3-methyl-1,2-thiazol-4-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03468 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04196 145.5
[M+Na]+ 237.02390 152.2
[M+NH4]+ 232.06850 153.1
[M+K]+ 252.99784 146.1
[M-H]- 213.02740 147.5
[M+Na-2H]- 235.00935 148.6
[M]+ 214.03413 147.5
[M]- 214.03523 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.