CID 55295495

5-methylthiophene-3-thiol

Structural Information

Molecular Formula
C5H6S2
SMILES
CC1=CC(=CS1)S
InChI
InChI=1S/C5H6S2/c1-4-2-5(6)3-7-4/h2-3,6H,1H3
InChIKey
AKXPXNGITUAYOF-UHFFFAOYSA-N
Compound name
5-methylthiophene-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

129.99109 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.998366 120.5
[M+Na]+ 152.980308 131.4
[M-H]- 128.983814 125.3
[M+NH4]+ 148.024913 145.6
[M+K]+ 168.954248 128.7
[M+H-H2O]+ 112.988350 116.3
[M+HCOO]- 174.989291 136.0
[M+CH3COO]- 189.004941 169.8
[M+Na-2H]- 150.965756 121.6
[M]+ 129.99054142 123.4
[M]- 129.99163858 123.4
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