CID 2740365

3-methylthiophene-2-carbothioamide

Structural Information

Molecular Formula
C6H7NS2
SMILES
CC1=C(SC=C1)C(=S)N
InChI
InChI=1S/C6H7NS2/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKey
OZJWRDXXJWICOF-UHFFFAOYSA-N
Compound name
3-methylthiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

157.002 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00928 129.4
[M+Na]+ 179.99122 138.7
[M-H]- 155.99472 133.1
[M+NH4]+ 175.03582 152.5
[M+K]+ 195.96516 134.8
[M+H-H2O]+ 139.99926 124.4
[M+HCOO]- 202.00020 143.7
[M+CH3COO]- 216.01585 176.5
[M+Na-2H]- 177.97667 128.5
[M]+ 157.00145 129.4
[M]- 157.00255 129.4
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