CID 3440815

5-amino-1,3-thiazole-2-carbothioamide

Structural Information

Molecular Formula
C4H5N3S2
SMILES
C1=C(SC(=N1)C(=S)N)N
InChI
InChI=1S/C4H5N3S2/c5-2-1-7-4(9-2)3(6)8/h1H,5H2,(H2,6,8)
InChIKey
XGWWACYQWGKGSS-UHFFFAOYSA-N
Compound name
5-amino-1,3-thiazole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

158.9925 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.999776 127.5
[M+Na]+ 181.981718 136.8
[M-H]- 157.985224 129.4
[M+NH4]+ 177.026323 148.5
[M+K]+ 197.955658 132.5
[M+H-H2O]+ 141.989760 121.6
[M+HCOO]- 203.990701 141.6
[M+CH3COO]- 218.006351 177.3
[M+Na-2H]- 179.967166 127.3
[M]+ 158.99195142 125.5
[M]- 158.99304858 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe