CID 3047404

1,3,4-thiadiazole-2-thiol, 5-dimethylamino-, hydrochloride

Structural Information

Molecular Formula
C4H7N3S2
SMILES
CN(C)C1=NNC(=S)S1
InChI
InChI=1S/C4H7N3S2/c1-7(2)3-5-6-4(8)9-3/h1-2H3,(H,6,8)
InChIKey
PKNMLXOFZGQTFC-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

161.00813 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01541 127.8
[M+Na]+ 183.99735 138.2
[M-H]- 160.00085 129.7
[M+NH4]+ 179.04195 148.6
[M+K]+ 199.97129 135.0
[M+H-H2O]+ 144.00539 121.8
[M+HCOO]- 206.00633 141.1
[M+CH3COO]- 220.02198 176.5
[M+Na-2H]- 181.98280 128.5
[M]+ 161.00758 129.1
[M]- 161.00868 129.1
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