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
10
Annotation Hits

888
References

86322
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.