CID 2723847

5-amino-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula

C₂H₃N₃S₂

SMILES

C1(=NNC(=S)S1)N

InChI

InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)

InChIKey

GDGIVSREGUOIJZ-UHFFFAOYSA-N

Compound name

5-amino-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 36
References: 9515
Patents: 132.97684 Da
Monoisotopic Mass: 0.3
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]+	133.98412	119.1
[M+Na]+	155.96606	130.3
[M-H]-	131.96956	119.2
[M+NH4]+	151.01066	140.0
[M+K]+	171.94000	125.7
[M+H-H2O]+	115.97410	113.7
[M+HCOO]-	177.97504	132.0
[M+CH3COO]-	191.99069	132.6
[M+Na-2H]-	153.95151	120.4
[M]+	132.97629	117.4
[M]-	132.97739	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe