CID 2754719

P-benzenedicarbamic acid, tetrathio-, dimethyl ester

Structural Information

Molecular Formula
C10H12N2S4
SMILES
CSC(=S)NC1=CC=C(C=C1)NC(=S)SC
InChI
InChI=1S/C10H12N2S4/c1-15-9(13)11-7-3-5-8(6-4-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKey
LCYNNKKLPFFRDE-UHFFFAOYSA-N
Compound name
methyl N-[4-(methylsulfanylcarbothioylamino)phenyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.98834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99562 158.7
[M+Na]+ 310.97756 164.2
[M-H]- 286.98106 158.9
[M+NH4]+ 306.02216 172.8
[M+K]+ 326.95150 153.5
[M+H-H2O]+ 270.98560 151.4
[M+HCOO]- 332.98654 158.3
[M+CH3COO]- 347.00219 202.3
[M+Na-2H]- 308.96301 158.3
[M]+ 287.98779 154.4
[M]- 287.98889 154.4
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