CID 55288514

4(3h)-pyrimidinethione, 5-chloro-

Structural Information

Molecular Formula

C₄H₃ClN₂S

SMILES

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

InChI

InChI=1S/C4H3ClN2S/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)

InChIKey

QXKSCMNLROLRBM-UHFFFAOYSA-N

Compound name

5-chloro-1H-pyrimidine-6-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.97055 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]+	146.97783	123.8
[M+Na]+	168.95977	138.4
[M+NH4]+	164.00437	133.1
[M+K]+	184.93371	129.4
[M-H]-	144.96327	125.2
[M+Na-2H]-	166.94522	131.0
[M]+	145.97000	127.0
[M]-	145.97110	127.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.