CID 9570143

1-isothiazol-3-ylmethylenethiosemicarbazide

Structural Information

Molecular Formula
C5H6N4S2
SMILES
C1=CSN=C1/C=N/NC(=S)N
InChI
InChI=1S/C5H6N4S2/c6-5(10)8-7-3-4-1-2-11-9-4/h1-3H,(H3,6,8,10)/b7-3+
InChIKey
XZCUUNPOJHTDIC-XVNBXDOJSA-N
Compound name
[(E)-1,2-thiazol-3-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00339 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01067 136.0
[M+Na]+ 208.99261 143.2
[M+NH4]+ 204.03721 144.1
[M+K]+ 224.96655 136.5
[M-H]- 184.99611 138.3
[M+Na-2H]- 206.97806 140.2
[M]+ 186.00284 138.1
[M]- 186.00394 138.1
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.