CID 3052681

4-thiazoline-2-thiol, 4-ethyl-

Structural Information

Molecular Formula
C5H9NS2
SMILES
CCC1=CSC(N1)S
InChI
InChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h3,5-7H,2H2,1H3
InChIKey
DTRQWCLMUBJQJN-UHFFFAOYSA-N
Compound name
4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

147.01764 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.024916 126.0
[M+Na]+ 170.006858 135.4
[M-H]- 146.010364 127.4
[M+NH4]+ 165.051463 148.3
[M+K]+ 185.980798 132.0
[M+H-H2O]+ 130.014900 121.2
[M+HCOO]- 192.015841 137.4
[M+CH3COO]- 206.031491 170.0
[M+Na-2H]- 167.992306 125.6
[M]+ 147.01709142 126.1
[M]- 147.01818858 126.1
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