CID 13922954

(4r)-4-isopropyl-1,3-thiazolidine-2-thione

Structural Information

Molecular Formula
C6H11NS2
SMILES
CC(C)[C@@H]1CSC(=S)N1
InChI
InChI=1S/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKey
CWIZUGZKLJDJLE-YFKPBYRVSA-N
Compound name
(4R)-4-propan-2-yl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

161.0333 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.04058 132.1
[M+Na]+ 184.02252 139.9
[M-H]- 160.02602 133.0
[M+NH4]+ 179.06712 153.5
[M+K]+ 199.99646 136.3
[M+H-H2O]+ 144.03056 127.3
[M+HCOO]- 206.03150 140.8
[M+CH3COO]- 220.04715 173.2
[M+Na-2H]- 182.00797 129.3
[M]+ 161.03275 129.9
[M]- 161.03385 129.9
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