CID 154747066

5-(methylsulfanyl)thiophene-2-carbothioamide

Structural Information

Molecular Formula
C6H7NS3
SMILES
CSC1=CC=C(S1)C(=S)N
InChI
InChI=1S/C6H7NS3/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKey
LEJLDXOGBXGYNV-UHFFFAOYSA-N
Compound name
5-methylsulfanylthiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98134 135.8
[M+Na]+ 211.96328 144.3
[M+NH4]+ 207.00788 145.4
[M+K]+ 227.93722 135.4
[M-H]- 187.96678 138.4
[M+Na-2H]- 209.94873 138.5
[M]+ 188.97351 138.9
[M]- 188.97461 138.9
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

No patent data available for this compound.