CID 341593

3-hydroxy-4-methyl-2(3h)-thiazolethione

Structural Information

Molecular Formula
C4H5NOS2
SMILES
CC1=CSC(=S)N1O
InChI
InChI=1S/C4H5NOS2/c1-3-2-8-4(7)5(3)6/h2,6H,1H3
InChIKey
LOKDIDVKVVVVHK-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methyl-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

146.98126 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.98854 123.3
[M+Na]+ 169.97048 135.1
[M-H]- 145.97398 125.6
[M+NH4]+ 165.01508 145.9
[M+K]+ 185.94442 131.2
[M+H-H2O]+ 129.97852 118.9
[M+HCOO]- 191.97946 136.7
[M+CH3COO]- 205.99511 168.9
[M+Na-2H]- 167.95593 123.6
[M]+ 146.98071 125.4
[M]- 146.98181 125.4
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