CID 737237

Thiophene-2-carbothioamide

Structural Information

Molecular Formula
C5H5NS2
SMILES
C1=CSC(=C1)C(=S)N
InChI
InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
InChIKey
HDXYHAPUCGQOBX-UHFFFAOYSA-N
Compound name
thiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

358
Patents

142.98634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.99362 125.7
[M+Na]+ 165.97556 134.6
[M-H]- 141.97906 129.3
[M+NH4]+ 161.02016 149.0
[M+K]+ 181.94950 131.0
[M+H-H2O]+ 125.98360 120.6
[M+HCOO]- 187.98454 140.4
[M+CH3COO]- 202.00019 172.4
[M+Na-2H]- 163.96101 125.9
[M]+ 142.98579 125.0
[M]- 142.98689 125.0
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