CID 36603

Ethylene bisthiuram monosulfide

Structural Information

Molecular Formula
C4H4N2S3
SMILES
C1CN2C(=N1)SSC2=S
InChI
InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2
InChIKey
BFTGQIQVUVTBJU-UHFFFAOYSA-N
Compound name
5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

5747
Patents

175.95366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.960936 131.2
[M+Na]+ 198.942878 143.4
[M-H]- 174.946384 133.5
[M+NH4]+ 193.987483 154.5
[M+K]+ 214.916818 139.8
[M+H-H2O]+ 158.950920 127.7
[M+HCOO]- 220.951861 137.7
[M+CH3COO]- 234.967511 144.5
[M+Na-2H]- 196.928326 130.0
[M]+ 175.95311142 131.7
[M]- 175.95420858 131.7
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