CID 3032314

Thiuram disulfide

Structural Information

Molecular Formula
C2H4N2S4
SMILES
C(=S)(N)SSC(=S)N
InChI
InChI=1S/C2H4N2S4/c3-1(5)7-8-2(4)6/h(H2,3,5)(H2,4,6)
InChIKey
CSNJTIWCTNEOSW-UHFFFAOYSA-N
Compound name
carbamothioylsulfanyl carbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

10635
Patents

183.92574 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.933016 133.7
[M+Na]+ 206.914958 139.4
[M-H]- 182.918464 130.3
[M+NH4]+ 201.959563 150.6
[M+K]+ 222.888898 130.3
[M+H-H2O]+ 166.923000 127.0
[M+HCOO]- 228.923941 132.0
[M+CH3COO]- 242.939591 183.4
[M+Na-2H]- 204.900406 131.6
[M]+ 183.92519142 126.4
[M]- 183.92628858 126.4
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