CID 154747066

2172445-68-8

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]+ 189.981336 135.7
[M+Na]+ 211.963278 144.9
[M-H]- 187.966784 138.5
[M+NH4]+ 207.007883 156.9
[M+K]+ 227.937218 138.9
[M+H-H2O]+ 171.971320 130.5
[M+HCOO]- 233.972261 143.7
[M+CH3COO]- 247.987911 182.4
[M+Na-2H]- 209.948726 133.7
[M]+ 188.97351142 135.1
[M]- 188.97460858 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.