CID 64309128

4-cyclopropyl-1,3-thiazole-2-thiol

Structural Information

Molecular Formula
C6H7NS2
SMILES
C1CC1C2=CSC(=S)N2
InChI
InChI=1S/C6H7NS2/c8-6-7-5(3-9-6)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChIKey
QIENDHTVOUQYPT-UHFFFAOYSA-N
Compound name
4-cyclopropyl-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.002 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00928 121.4
[M+Na]+ 179.99122 133.1
[M-H]- 155.99472 126.8
[M+NH4]+ 175.03582 138.4
[M+K]+ 195.96516 128.0
[M+H-H2O]+ 139.99926 115.8
[M+HCOO]- 202.00020 135.0
[M+CH3COO]- 216.01585 135.1
[M+Na-2H]- 177.97667 122.5
[M]+ 157.00145 123.6
[M]- 157.00255 123.6
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