CID 9579524

[(e)-(4-chloro-3-methyl-isothiazol-5-yl)methyleneamino]thiourea

Structural Information

Molecular Formula
C6H7ClN4S2
SMILES
CC1=NSC(=C1Cl)/C=N/NC(=S)N
InChI
InChI=1S/C6H7ClN4S2/c1-3-5(7)4(13-11-3)2-9-10-6(8)12/h2H,1H3,(H3,8,10,12)/b9-2+
InChIKey
BNSBYBAREFOGSV-XNWCZRBMSA-N
Compound name
[(E)-(4-chloro-3-methyl-1,2-thiazol-5-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.98007 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98735 147.0
[M+Na]+ 256.96929 156.5
[M-H]- 232.97279 150.7
[M+NH4]+ 252.01389 166.6
[M+K]+ 272.94323 150.6
[M+H-H2O]+ 216.97733 141.1
[M+HCOO]- 278.97827 158.9
[M+CH3COO]- 292.99392 193.9
[M+Na-2H]- 254.95474 146.6
[M]+ 233.97952 148.7
[M]- 233.98062 148.7
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.