CID 1201387

2-mercaptothiazole

Structural Information

Molecular Formula
C3H3NS2
SMILES
C1=CSC(=S)N1
InChI
InChI=1S/C3H3NS2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)
InChIKey
OCVLSHAVSIYKLI-UHFFFAOYSA-N
Compound name
3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

12140
Patents

116.97069 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.97797 116.3
[M+Na]+ 139.95991 127.2
[M-H]- 115.96341 118.1
[M+NH4]+ 135.00451 139.6
[M+K]+ 155.93385 123.4
[M+H-H2O]+ 99.967950 111.7
[M+HCOO]- 161.96889 130.0
[M+CH3COO]- 175.98454 130.7
[M+Na-2H]- 137.94536 118.2
[M]+ 116.97014 116.0
[M]- 116.97124 116.0
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