CID 3481068

15937-38-9

Structural Information

Molecular Formula
C10H8ClN3S
SMILES
C1=CC=C(C(=C1)C2=CN=C(NC2=S)N)Cl
InChI
InChI=1S/C10H8ClN3S/c11-8-4-2-1-3-6(8)7-5-13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey
WLNUGNCRBWJZRX-UHFFFAOYSA-N
Compound name
2-amino-5-(2-chlorophenyl)-1H-pyrimidine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.01274 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02002 146.7
[M+Na]+ 260.00196 158.0
[M-H]- 236.00546 149.9
[M+NH4]+ 255.04656 162.5
[M+K]+ 275.97590 150.0
[M+H-H2O]+ 220.01000 140.1
[M+HCOO]- 282.01094 159.1
[M+CH3COO]- 296.02659 158.9
[M+Na-2H]- 257.98741 150.2
[M]+ 237.01219 146.5
[M]- 237.01329 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe