CID 7347

Tetramethylthiuram monosulfide

Structural Information

Molecular Formula
C6H12N2S3
SMILES
CN(C)C(=S)SC(=S)N(C)C
InChI
InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3
InChIKey
REQPQFUJGGOFQL-UHFFFAOYSA-N
Compound name
dimethylcarbamothioyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

31
References

20447
Patents

208.01627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.023546 142.7
[M+Na]+ 231.005488 147.8
[M-H]- 207.008994 144.4
[M+NH4]+ 226.050093 161.9
[M+K]+ 246.979428 144.5
[M+H-H2O]+ 191.013530 135.6
[M+HCOO]- 253.014471 148.6
[M+CH3COO]- 267.030121 195.1
[M+Na-2H]- 228.990936 140.1
[M]+ 208.01572142 143.4
[M]- 208.01681858 143.4
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