CID 4962476

2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide

Structural Information

Molecular Formula
C6H8N2S2
SMILES
CC1=CSC(=N1)CC(=S)N
InChI
InChI=1S/C6H8N2S2/c1-4-3-10-6(8-4)2-5(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKey
GIRPOGVYTBVPIZ-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

172.0129 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02018 134.6
[M+Na]+ 195.00212 144.0
[M+NH4]+ 190.04672 143.5
[M+K]+ 210.97606 136.7
[M-H]- 171.00562 136.4
[M+Na-2H]- 192.98757 138.1
[M]+ 172.01235 137.2
[M]- 172.01345 137.2
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.