CID 248807

Nsc66278

Structural Information

Molecular Formula
C8H12N4S5
SMILES
CN(C)C(=S)SC1=NSC(=N1)SC(=S)N(C)C
InChI
InChI=1S/C8H12N4S5/c1-11(2)7(13)15-5-9-6(17-10-5)16-8(14)12(3)4/h1-4H3
InChIKey
LNNGEPGDTJXDPK-UHFFFAOYSA-N
Compound name
[5-(dimethylcarbamothioylsulfanyl)-1,2,4-thiadiazol-3-yl] N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.96655 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.97383 171.2
[M+Na]+ 346.95577 178.3
[M-H]- 322.95927 171.0
[M+NH4]+ 342.00037 183.9
[M+K]+ 362.92971 168.7
[M+H-H2O]+ 306.96381 164.0
[M+HCOO]- 368.96475 164.8
[M+CH3COO]- 382.98040 213.6
[M+Na-2H]- 344.94122 169.1
[M]+ 323.96600 167.5
[M]- 323.96710 167.5
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.