CID 817026

5351-51-9

Structural Information

Molecular Formula
C5H7NS2
SMILES
CC1=C(SC(=S)N1)C
InChI
InChI=1S/C5H7NS2/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChIKey
KKHBRTFQIYIHEI-UHFFFAOYSA-N
Compound name
4,5-dimethyl-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

360
Patents

145.002 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00928 123.6
[M+Na]+ 167.99122 135.2
[M-H]- 143.99472 125.8
[M+NH4]+ 163.03582 146.4
[M+K]+ 183.96516 130.8
[M+H-H2O]+ 127.99926 119.3
[M+HCOO]- 190.00020 136.6
[M+CH3COO]- 204.01585 169.9
[M+Na-2H]- 165.97667 123.4
[M]+ 145.00145 124.8
[M]- 145.00255 124.8
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