CID 20035926

54660-92-3

Structural Information

Molecular Formula

C₄H₅N₃S₂

SMILES

C1=NC(=C(C(=S)N1)N)S

InChI

InChI=1S/C4H5N3S2/c5-2-3(8)6-1-7-4(2)9/h1H,5H2,(H2,6,7,8,9)

InChIKey

GAOXXCQGXVGDDU-UHFFFAOYSA-N

Compound name

5-amino-4-sulfanyl-1H-pyrimidine-6-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 158.9925 Da
Monoisotopic Mass: -0.2
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]+	159.99978	127.4
[M+Na]+	181.98172	139.1
[M+NH4]+	177.02632	135.9
[M+K]+	197.95566	130.1
[M-H]-	157.98522	129.0
[M+Na-2H]-	179.96717	132.3
[M]+	158.99195	130.3
[M]-	158.99305	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe