CID 2806974

1,3,4-thiadiazol-2-yl-thiourea

Structural Information

Molecular Formula
C3H4N4S2
SMILES
C1=NN=C(S1)NC(=S)N
InChI
InChI=1S/C3H4N4S2/c4-2(8)6-3-7-5-1-9-3/h1H,(H3,4,6,7,8)
InChIKey
LQIDUURITTXLQU-UHFFFAOYSA-N
Compound name
1,3,4-thiadiazol-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

159.98773 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99501 126.5
[M+Na]+ 182.97695 135.7
[M-H]- 158.98045 127.5
[M+NH4]+ 178.02155 146.3
[M+K]+ 198.95089 132.1
[M+H-H2O]+ 142.98499 119.9
[M+HCOO]- 204.98593 140.5
[M+CH3COO]- 219.00158 175.9
[M+Na-2H]- 180.96240 128.3
[M]+ 159.98718 125.2
[M]- 159.98828 125.2
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

patents stripe