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 135.7
[M+Na]+ 211.96328 144.9
[M-H]- 187.96678 138.5
[M+NH4]+ 207.00788 156.9
[M+K]+ 227.93722 138.9
[M+H-H2O]+ 171.97132 130.5
[M+HCOO]- 233.97226 143.7
[M+CH3COO]- 247.98791 182.4
[M+Na-2H]- 209.94873 133.7
[M]+ 188.97351 135.1
[M]- 188.97461 135.1
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

No patent data available for this compound.