CID 1268115

31295-41-7

Structural Information

Molecular Formula

C₄H₆N₄S₂

SMILES

C1(=C(NC(=S)NC1=S)N)N

InChI

InChI=1S/C4H6N4S2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

InChIKey

IQGYCVKWCYGVBK-UHFFFAOYSA-N

Compound name

5,6-diamino-1H-pyrimidine-2,4-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 293
Patents: 174.00339 Da
Monoisotopic Mass: -0.7
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]+	175.01067	130.6
[M+Na]+	196.99261	140.5
[M+NH4]+	192.03721	137.7
[M+K]+	212.96655	132.7
[M-H]-	172.99611	131.5
[M+Na-2H]-	194.97806	134.0
[M]+	174.00284	132.8
[M]-	174.00394	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe