CID 2115259

5-[(propan-2-yl)amino]-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula

C₅H₉N₃S₂

SMILES

CC(C)NC1=NNC(=S)S1

InChI

InChI=1S/C5H9N3S2/c1-3(2)6-4-7-8-5(9)10-4/h3H,1-2H3,(H,6,7)(H,8,9)

InChIKey

MYJGHPKZGZWYOE-UHFFFAOYSA-N

Compound name

5-(propan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.02379 Da
Monoisotopic Mass: 1.5
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]+	176.03107	134.6
[M+Na]+	198.01301	143.7
[M+NH4]+	193.05761	142.6
[M+K]+	213.98695	136.9
[M-H]-	174.01651	135.2
[M+Na-2H]-	195.99846	137.6
[M]+	175.02324	136.6
[M]-	175.02434	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe