CID 9579548

[(e)-(4-methyl-2-methylsulfanyl-thiazol-5-yl)methyleneamino]thiourea

Structural Information

Molecular Formula
C7H10N4S3
SMILES
CC1=C(SC(=N1)SC)/C=N/NC(=S)N
InChI
InChI=1S/C7H10N4S3/c1-4-5(3-9-11-6(8)12)14-7(10-4)13-2/h3H,1-2H3,(H3,8,11,12)/b9-3+
InChIKey
IHVJCYFTYFADHY-YCRREMRBSA-N
Compound name
[(E)-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.00676 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01404 148.7
[M+Na]+ 268.99598 157.2
[M-H]- 244.99948 151.1
[M+NH4]+ 264.04058 166.6
[M+K]+ 284.96992 150.3
[M+H-H2O]+ 229.00402 141.7
[M+HCOO]- 291.00496 158.3
[M+CH3COO]- 305.02061 198.5
[M+Na-2H]- 266.98143 147.7
[M]+ 246.00621 148.4
[M]- 246.00731 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.