CID 5455

Thiram

Structural Information

Molecular Formula
C6H12N2S4
SMILES
CN(C)C(=S)SSC(=S)N(C)C
InChI
InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
InChIKey
KUAZQDVKQLNFPE-UHFFFAOYSA-N
Compound name
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

884
References

131379
Patents

239.98833 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99561 150.6
[M+Na]+ 262.97755 155.0
[M-H]- 238.98105 150.7
[M+NH4]+ 258.02215 167.3
[M+K]+ 278.95149 148.7
[M+H-H2O]+ 222.98559 142.8
[M+HCOO]- 284.98653 149.5
[M+CH3COO]- 299.00218 200.5
[M+Na-2H]- 260.96300 147.9
[M]+ 239.98778 148.8
[M]- 239.98888 148.8
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