CID 4962476

854357-35-0

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]+ 173.020176 132.6
[M+Na]+ 195.002118 142.0
[M-H]- 171.005624 135.0
[M+NH4]+ 190.046723 153.9
[M+K]+ 210.976058 138.0
[M+H-H2O]+ 155.010160 126.9
[M+HCOO]- 217.011101 145.9
[M+CH3COO]- 231.026751 179.0
[M+Na-2H]- 192.987566 131.7
[M]+ 172.01235142 133.1
[M]- 172.01344858 133.1
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.