CID 19421203

18653-47-9

Structural Information

Molecular Formula
C4H5NOS2
SMILES
C1=C(NC(=S)S1)CO
InChI
InChI=1S/C4H5NOS2/c6-1-3-2-8-4(7)5-3/h2,6H,1H2,(H,5,7)
InChIKey
MYMJKAAAUMZIFG-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

146.98126 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.98854 124.1
[M+Na]+ 169.97048 134.7
[M-H]- 145.97398 124.6
[M+NH4]+ 165.01508 145.7
[M+K]+ 185.94442 129.9
[M+H-H2O]+ 129.97852 119.7
[M+HCOO]- 191.97946 136.2
[M+CH3COO]- 205.99511 165.2
[M+Na-2H]- 167.95593 124.7
[M]+ 146.98071 124.1
[M]- 146.98181 124.1
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