CID 3005221

Nsc684041

Structural Information

Molecular Formula
C5H7N3S2
SMILES
CSC1=C(NC=N1)C(=S)N
InChI
InChI=1S/C5H7N3S2/c1-10-5-3(4(6)9)7-2-8-5/h2H,1H3,(H2,6,9)(H,7,8)
InChIKey
LEDMGHFJOFGXGH-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-1H-imidazole-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.00813 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01541 131.8
[M+Na]+ 195.99735 141.3
[M-H]- 172.00085 131.5
[M+NH4]+ 191.04195 151.0
[M+K]+ 211.97129 136.5
[M+H-H2O]+ 156.00539 125.9
[M+HCOO]- 218.00633 142.7
[M+CH3COO]- 232.02198 176.2
[M+Na-2H]- 193.98280 130.8
[M]+ 173.00758 130.6
[M]- 173.00868 130.6
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.