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]+ 159.004516 128.4
[M+Na]+ 180.986458 138.3
[M-H]- 156.989964 130.9
[M+NH4]+ 176.031063 150.2
[M+K]+ 196.960398 134.5
[M+H-H2O]+ 140.994500 122.9
[M+HCOO]- 202.995441 141.9
[M+CH3COO]- 217.011091 176.1
[M+Na-2H]- 178.971906 127.9
[M]+ 157.99669142 128.6
[M]- 157.99778858 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

literature stripe

Patent stripe

patents stripe