CID 9543574

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

Structural Information

Molecular Formula
C10H11NS2
SMILES
C1[C@H](NC(=S)S1)CC2=CC=CC=C2
InChI
InChI=1S/C10H11NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
InChIKey
SLDUGQISGRPGAW-SECBINFHSA-N
Compound name
(4R)-4-benzyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

209.0333 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04058 142.2
[M+Na]+ 232.02252 150.7
[M-H]- 208.02602 146.2
[M+NH4]+ 227.06712 161.9
[M+K]+ 247.99646 144.9
[M+H-H2O]+ 192.03056 136.7
[M+HCOO]- 254.03150 153.0
[M+CH3COO]- 268.04715 154.3
[M+Na-2H]- 230.00797 141.3
[M]+ 209.03275 140.0
[M]- 209.03385 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe