CID 95876

Tetraisopropylthiuram disulfide

Structural Information

Molecular Formula
C14H28N2S4
SMILES
CC(C)N(C(C)C)C(=S)SSC(=S)N(C(C)C)C(C)C
InChI
InChI=1S/C14H28N2S4/c1-9(2)15(10(3)4)13(17)19-20-14(18)16(11(5)6)12(7)8/h9-12H,1-8H3
InChIKey
ZUYREEAWHZRZDX-UHFFFAOYSA-N
Compound name
di(propan-2-yl)carbamothioylsulfanyl N,N-di(propan-2-yl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

683
Patents

352.11353 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12081 178.5
[M+Na]+ 375.10275 178.2
[M-H]- 351.10625 177.0
[M+NH4]+ 370.14735 190.7
[M+K]+ 391.07669 172.4
[M+H-H2O]+ 335.11079 169.9
[M+HCOO]- 397.11173 171.1
[M+CH3COO]- 411.12738 225.0
[M+Na-2H]- 373.08820 171.2
[M]+ 352.11298 177.6
[M]- 352.11408 177.6
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