CID 66776

4-thiazoline-2-thiol

Structural Information

Molecular Formula
C3H5NS2
SMILES
C1NC(=CS1)S
InChI
InChI=1S/C3H5NS2/c5-3-1-6-2-4-3/h1,4-5H,2H2
InChIKey
ZYHDFWKHJXMUEH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,3-thiazole-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

118.98634 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.99362 118.0
[M+Na]+ 141.97556 127.5
[M-H]- 117.97906 119.4
[M+NH4]+ 137.02016 141.1
[M+K]+ 157.94950 124.6
[M+H-H2O]+ 101.98360 113.3
[M+HCOO]- 163.98454 130.1
[M+CH3COO]- 178.00019 131.8
[M+Na-2H]- 139.96101 119.1
[M]+ 118.98579 117.0
[M]- 118.98689 117.0
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