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

56
Patents

161.0333 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.040576 132.1
[M+Na]+ 184.022518 139.9
[M-H]- 160.026024 133.0
[M+NH4]+ 179.067123 153.5
[M+K]+ 199.996458 136.3
[M+H-H2O]+ 144.030560 127.3
[M+HCOO]- 206.031501 140.8
[M+CH3COO]- 220.047151 173.2
[M+Na-2H]- 182.007966 129.3
[M]+ 161.03275142 129.9
[M]- 161.03384858 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