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

24
Patents

159.01764 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02492 127.9
[M+Na]+ 182.00686 139.0
[M-H]- 158.01036 129.9
[M+NH4]+ 177.05146 150.1
[M+K]+ 197.98080 134.3
[M+H-H2O]+ 142.01490 123.3
[M+HCOO]- 204.01584 140.5
[M+CH3COO]- 218.03149 172.8
[M+Na-2H]- 179.99231 127.2
[M]+ 159.01709 129.4
[M]- 159.01819 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