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 134.6
[M+Na]+ 208.99261 142.6
[M-H]- 184.99611 137.8
[M+NH4]+ 204.03721 154.8
[M+K]+ 224.96655 138.6
[M+H-H2O]+ 169.00065 127.4
[M+HCOO]- 231.00159 151.5
[M+CH3COO]- 245.01724 185.0
[M+Na-2H]- 206.97806 136.6
[M]+ 186.00284 133.7
[M]- 186.00394 133.7
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.