CID 3506967

4-ethyl-2,3-dihydro-1,3-thiazole-2-thione

Structural Information

Molecular Formula
C5H7NS2
SMILES
CCC1=CSC(=S)N1
InChI
InChI=1S/C5H7NS2/c1-2-4-3-8-5(7)6-4/h3H,2H2,1H3,(H,6,7)
InChIKey
FORKADXOPFAOHL-UHFFFAOYSA-N
Compound name
4-ethyl-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

145.002 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00928 124.2
[M+Na]+ 167.99122 135.1
[M-H]- 143.99472 126.1
[M+NH4]+ 163.03582 146.8
[M+K]+ 183.96516 130.7
[M+H-H2O]+ 127.99926 119.6
[M+HCOO]- 190.00020 137.3
[M+CH3COO]- 204.01585 168.8
[M+Na-2H]- 165.97667 124.6
[M]+ 145.00145 125.0
[M]- 145.00255 125.0
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

patents stripe