CID 16740159

5-ethyl-4-methyl-2,3-dihydro-1,3-thiazole-2-thione

Structural Information

Molecular Formula
C6H9NS2
SMILES
CCC1=C(NC(=S)S1)C
InChI
InChI=1S/C6H9NS2/c1-3-5-4(2)7-6(8)9-5/h3H2,1-2H3,(H,7,8)
InChIKey
MSELWNLOOYKCBN-UHFFFAOYSA-N
Compound name
5-ethyl-4-methyl-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

159.01764 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.024916 127.9
[M+Na]+ 182.006858 139.0
[M-H]- 158.010364 129.9
[M+NH4]+ 177.051463 150.1
[M+K]+ 197.980798 134.3
[M+H-H2O]+ 142.014900 123.3
[M+HCOO]- 204.015841 140.5
[M+CH3COO]- 218.031491 172.8
[M+Na-2H]- 179.992306 127.2
[M]+ 159.01709142 129.4
[M]- 159.01818858 129.4
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