CID 2744365

2-methylthiazole-4-carbothioamide

Structural Information

Molecular Formula
C5H6N2S2
SMILES
CC1=NC(=CS1)C(=S)N
InChI
InChI=1S/C5H6N2S2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
InChIKey
DIOPPULTIGEDCB-UHFFFAOYSA-N
Compound name
2-methyl-1,3-thiazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

157.99724 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00452 128.4
[M+Na]+ 180.98646 138.3
[M-H]- 156.98996 130.9
[M+NH4]+ 176.03106 150.2
[M+K]+ 196.96040 134.5
[M+H-H2O]+ 140.99450 122.9
[M+HCOO]- 202.99544 141.9
[M+CH3COO]- 217.01109 176.1
[M+Na-2H]- 178.97191 127.9
[M]+ 157.99669 128.6
[M]- 157.99779 128.6
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.