CID 3001673

4-???imidazole-2-thiol

Structural Information

Molecular Formula
C4H6N4OS
SMILES
C1=C(NC(=S)N1)C(=O)NN
InChI
InChI=1S/C4H6N4OS/c5-8-3(9)2-1-6-4(10)7-2/h1H,5H2,(H,8,9)(H2,6,7,10)
InChIKey
LYALTMDTSSNOLT-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1,3-dihydroimidazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

158.02623 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03351 129.6
[M+Na]+ 181.01545 138.1
[M-H]- 157.01895 128.3
[M+NH4]+ 176.06005 148.0
[M+K]+ 196.98939 133.8
[M+H-H2O]+ 141.02349 123.2
[M+HCOO]- 203.02443 146.5
[M+CH3COO]- 217.04008 171.5
[M+Na-2H]- 179.00090 131.6
[M]+ 158.02568 125.0
[M]- 158.02678 125.0
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

No patent data available for this compound.