CID 2723630

2,5-dimercapto-1,3,4-thiadiazole

Structural Information

Molecular Formula

C₂H₂N₂S₃

SMILES

C1(=S)NNC(=S)S1

InChI

InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

InChIKey

BIGYLAKFCGVRAN-UHFFFAOYSA-N

Compound name

1,3,4-thiadiazolidine-2,5-dithione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 32
References: 17821
Patents: 149.93802 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	150.945296	121.8
[M+Na]+	172.927238	133.9
[M-H]-	148.930744	120.6
[M+NH4]+	167.971843	141.7
[M+K]+	188.901178	126.5
[M+H-H2O]+	132.935280	117.5
[M+HCOO]-	194.936221	127.2
[M+CH3COO]-	208.951871	134.2
[M+Na-2H]-	170.912686	121.2
[M]+	149.93747142	118.9
[M]-	149.93856858	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe