CID 67770700

Methyl 2-sulfanyl-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C5H5NO2S2
SMILES
COC(=O)C1=CSC(=S)N1
InChI
InChI=1S/C5H5NO2S2/c1-8-4(7)3-2-10-5(9)6-3/h2H,1H3,(H,6,9)
InChIKey
IBEZFQXSZFDKNX-UHFFFAOYSA-N
Compound name
methyl 2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.97617 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.983446 132.1
[M+Na]+ 197.965388 142.4
[M-H]- 173.968894 133.9
[M+NH4]+ 193.009993 153.0
[M+K]+ 213.939328 138.6
[M+H-H2O]+ 157.973430 127.2
[M+HCOO]- 219.974371 144.6
[M+CH3COO]- 233.990021 172.0
[M+Na-2H]- 195.950836 131.7
[M]+ 174.97562142 134.2
[M]- 174.97671858 134.2
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