CID 727654

307512-33-0

Structural Information

Molecular Formula

C₈H₈N₂S₂

SMILES

CC1=C(SC2=C1C(=S)NC=N2)C

InChI

InChI=1S/C8H8N2S2/c1-4-5(2)12-8-6(4)7(11)9-3-10-8/h3H,1-2H3,(H,9,10,11)

InChIKey

BPXRXYWYEMPYQU-UHFFFAOYSA-N

Compound name

5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 196.0129 Da
Monoisotopic Mass: 2.1
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]+	197.02018	138.5
[M+Na]+	219.00212	152.4
[M+NH4]+	214.04672	148.2
[M+K]+	234.97606	143.3
[M-H]-	195.00562	140.6
[M+Na-2H]-	216.98757	143.4
[M]+	196.01235	142.1
[M]-	196.01345	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe