CID 3032494

Biuret, 1-ethyl-2,4-dithio-

Structural Information

Molecular Formula
C4H9N3S2
SMILES
CCNC(=S)NC(=S)N
InChI
InChI=1S/C4H9N3S2/c1-2-6-4(9)7-3(5)8/h2H2,1H3,(H4,5,6,7,8,9)
InChIKey
LWSAZBLMPGMYOG-UHFFFAOYSA-N
Compound name
1-carbamothioyl-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

163.02379 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03107 131.6
[M+Na]+ 186.01301 136.8
[M-H]- 162.01651 130.8
[M+NH4]+ 181.05761 151.1
[M+K]+ 201.98695 132.8
[M+H-H2O]+ 146.02105 125.1
[M+HCOO]- 208.02199 144.2
[M+CH3COO]- 222.03764 181.7
[M+Na-2H]- 183.99846 131.5
[M]+ 163.02324 128.1
[M]- 163.02434 128.1
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