CID 9570154

Methyl 3-methyl-5-isothiazolyl ketone thiosemicarbazone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03468 Da
Monoisotopic Mass

1.2
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.

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No patent data available for this compound.