CID 15076240

5-chlorothiophene-2-carbothioamide

Structural Information

Molecular Formula
C5H4ClNS2
SMILES
C1=C(SC(=C1)Cl)C(=S)N
InChI
InChI=1S/C5H4ClNS2/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
InChIKey
MLOPLHLFVKWWEM-UHFFFAOYSA-N
Compound name
5-chlorothiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

176.94737 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.954646 131.9
[M+Na]+ 199.936588 142.0
[M-H]- 175.940094 135.8
[M+NH4]+ 194.981193 154.9
[M+K]+ 215.910528 136.7
[M+H-H2O]+ 159.944630 128.1
[M+HCOO]- 221.945571 142.0
[M+CH3COO]- 235.961221 177.3
[M+Na-2H]- 197.922036 131.0
[M]+ 176.94682142 133.1
[M]- 176.94791858 133.1
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