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

37
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.