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

18
Patents

129.99109 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.99837 120.5
[M+Na]+ 152.98031 131.4
[M-H]- 128.98381 125.3
[M+NH4]+ 148.02491 145.6
[M+K]+ 168.95425 128.7
[M+H-H2O]+ 112.98835 116.3
[M+HCOO]- 174.98929 136.0
[M+CH3COO]- 189.00494 169.8
[M+Na-2H]- 150.96576 121.6
[M]+ 129.99054 123.4
[M]- 129.99164 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